2-formyl-1H-benzimidazole-4-carboxamide

C9H7N3O2 — CID 131216974

IUPAC2-formyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C=O)nc12
InChIInChI=1S/C9H7N3O2/c10-9(14)5-2-1-3-6-8(5)12-7(4-13)11-6/h1-4H,(H2,10,14)(H,11,12)
InChIKeyXTKKEBUMKIZUJG-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.47
Rot. Bonds2

About 2-formyl-1H-benzimidazole-4-carboxamide

2-formyl-1H-benzimidazole-4-carboxamide (PubChem CID 131216974) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-formyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-formyl-1H-benzimidazole-4-carboxamide
PubChem CID131216974
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-formyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C=O)nc12
InChIInChI=1S/C9H7N3O2/c10-9(14)5-2-1-3-6-8(5)12-7(4-13)11-6/h1-4H,(H2,10,14)(H,11,12)
InChIKeyXTKKEBUMKIZUJG-UHFFFAOYSA-N
XLogP0.47
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960103
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
4-(trifluoromethylsulfanyl)-1H-benzimidazole-2-carbaldehyde
CID 131305927
2-(6-azaspiro[3.4]octan-7-yl)-1H-benzimidazole-4-carboxamide
CID 25229961
2-[[4-[(2-hydroxyacetyl)amino]phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 10452856
2-[(4-carbamoylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46214081
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158

Frequently Asked Questions

What is the IUPAC name of 2-formyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-formyl-1H-benzimidazole-4-carboxamide (CID 131216974) is 2-formyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-formyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-formyl-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C=O)nc12.
What is the InChIKey of 2-formyl-1H-benzimidazole-4-carboxamide?
The InChIKey is XTKKEBUMKIZUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-9(14)5-2-1-3-6-8(5)12-7(4-13)11-6/h1-4H,(H2,10,14)(H,11,12).
What are the key properties of 2-formyl-1H-benzimidazole-4-carboxamide?
2-formyl-1H-benzimidazole-4-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 131216974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).