4-formyl-1H-benzimidazole-5-carboxamide

C9H7N3O2 — CID 130926253

IUPAC4-formyl-1H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cnc2c1C=O
InChIInChI=1S/C9H7N3O2/c10-9(14)5-1-2-7-8(6(5)3-13)12-4-11-7/h1-4H,(H2,10,14)(H,11,12)
InChIKeyDECNTJFCCYLUCO-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.47
Rot. Bonds2

About 4-formyl-1H-benzimidazole-5-carboxamide

4-formyl-1H-benzimidazole-5-carboxamide (PubChem CID 130926253) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-formyl-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name4-formyl-1H-benzimidazole-5-carboxamide
PubChem CID130926253
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-formyl-1H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cnc2c1C=O
InChIInChI=1S/C9H7N3O2/c10-9(14)5-1-2-7-8(6(5)3-13)12-4-11-7/h1-4H,(H2,10,14)(H,11,12)
InChIKeyDECNTJFCCYLUCO-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

4-chloro-1H-benzimidazole-5-carboxamide
CID 130877031
6-amino-1H-benzimidazole-4-carboxamide
CID 121232289
1H-benzimidazole-4-carboxylic acid
CID 2771758
methyl 4-amino-1H-benzimidazole-5-carboxylate
CID 131010029
4-(difluoromethyl)-1H-benzimidazole-5-carboxylic acid
CID 131609729
(E)-3-[5-(hydroxymethyl)-1H-benzimidazol-4-yl]prop-2-enoic acid
CID 134613300
2-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 140604998
1H-benzimidazole-4-carboxylic acid;2,3-diaminobenzoic acid
CID 174935397
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668

Frequently Asked Questions

What is the IUPAC name of 4-formyl-1H-benzimidazole-5-carboxamide?
The IUPAC name of 4-formyl-1H-benzimidazole-5-carboxamide (CID 130926253) is 4-formyl-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 4-formyl-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 4-formyl-1H-benzimidazole-5-carboxamide is NC(=O)c1ccc2[nH]cnc2c1C=O.
What is the InChIKey of 4-formyl-1H-benzimidazole-5-carboxamide?
The InChIKey is DECNTJFCCYLUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-9(14)5-1-2-7-8(6(5)3-13)12-4-11-7/h1-4H,(H2,10,14)(H,11,12).
What are the key properties of 4-formyl-1H-benzimidazole-5-carboxamide?
4-formyl-1H-benzimidazole-5-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 4-formyl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 130926253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).