1h-benzimidazole-4-carbaldehyde (CED0216043)

Record Information
Version1.0
Creation Date2026-08-24 22:55:08 UTC
Update Date2026-08-24 22:55:08 UTC
SynCED IDCED0216043
Secondary Accession Numbers
  • CHEM256289
Identification
Common Name1h-benzimidazole-4-carbaldehyde
ClassSmall Molecule
Description
1h-benzimidazole-4-carbaldehyde belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C8H6N2O and an average molecular weight of 146.15 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H6N2O
Average Molecular Mass146.150 g/mol
Monoisotopic Mass146.048 g/mol
CAS Registry Number144876-36-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H6N2O/c11-4-6-2-1-3-7-8(6)10-5-9-7/h1-5H,(H,9,10)
InChI KeyUNGJRTXGRUDJGM-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
600.0 Log mg/kg [340:1100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureProline racemaseQ9L4Q3Clostridium sticklandiiPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.293 Low confidence
Statistical Significance
0.3609
Supporting Reference Compounds
906
E-value
2809.73
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.293 Low confidence
Statistical Significance
0.4243
Supporting Reference Compounds
742
E-value
3303.14
Dual specificity tyrosine-phosphorylation-regulated kinase 1B structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1BQ9Y463HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.293 Low confidence
Statistical Significance
0.3179
Supporting Reference Compounds
377
E-value
2474.59
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.293 Low confidence
Statistical Significance
0.4836
Supporting Reference Compounds
779
E-value
3764.79
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.293 Low confidence
Statistical Significance
0.5289
Supporting Reference Compounds
996
E-value
4117.68
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.293 Low confidence
Statistical Significance
0.5722
Supporting Reference Compounds
967
E-value
4454.84
Leucine-rich repeat serine/threonine-protein kinase 2 structureClick to view 3D structureLeucine-rich repeat serine/threonine-protein kinase 2Q5S007HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.293 Low confidence
Statistical Significance
0.3934
Supporting Reference Compounds
336
E-value
3062.74
Cyclin-dependent kinase 9 structureClick to view 3D structureCyclin-dependent kinase 9P50750HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.293 Low confidence
Statistical Significance
0.4214
Supporting Reference Compounds
426
E-value
3280.49
Ribosomal protein S6 kinase alpha-3 structureClick to view 3D structureRibosomal protein S6 kinase alpha-3P51812HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.293 Low confidence
Statistical Significance
0.5434
Supporting Reference Compounds
733
E-value
4230.48
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.293 Low confidence
Statistical Significance
0.6218
Supporting Reference Compounds
961
E-value
4840.82
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseP9WP01Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.263 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
2
E-value
1.55698
Click to view 3D structureEndothelin-converting enzyme 2P0DPD6HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.0008
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.293 Low confidence
Statistical Significance
0.591
Supporting Reference Compounds
727
E-value
4600.97
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.26 Low confidence
Statistical Significance
0.6684
Supporting Reference Compounds
1158
E-value
5203.68
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.317
Statistical Significance
0.2097
Supporting Reference Compounds
205
E-value
1632.26
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.293 Low confidence
Statistical Significance
0.6666
Supporting Reference Compounds
1010
E-value
5189.43
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.26 Low confidence
Statistical Significance
0.8313
Supporting Reference Compounds
1245
E-value
6471.92
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.293 Low confidence
Statistical Significance
0.6146
Supporting Reference Compounds
735
E-value
4784.92
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.255 Low confidence
Statistical Significance
0.2353
Supporting Reference Compounds
187
E-value
1831.79
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.241 Low confidence
Statistical Significance
0.7559
Supporting Reference Compounds
1301
E-value
5884.39
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.293 Low confidence
Statistical Significance
0.6353
Supporting Reference Compounds
674
E-value
4946.07
Dual specificity tyrosine-phosphorylation-regulated kinase 2 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 2Q92630HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.24 Low confidence
Statistical Significance
0.3052
Supporting Reference Compounds
196
E-value
2375.96
Click to view 3D structureCytokinin dehydrogenase 2Q9FUJ3Arabidopsis thalianaPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.218 Low confidence
Statistical Significance
0.0069
Supporting Reference Compounds
3
E-value
53.8717
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.293 Low confidence
Statistical Significance
0.6878
Supporting Reference Compounds
764
E-value
5354.86
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available