6-hydroxy-3H-benzimidazole-5-carboxamide

C8H7N3O2 — CID 130781668

IUPAC6-hydroxy-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cc2[nH]cnc2cc1O
InChIInChI=1S/C8H7N3O2/c9-8(13)4-1-5-6(2-7(4)12)11-3-10-5/h1-3,12H,(H2,9,13)(H,10,11)
InChIKeyWWKRYVZOZQRGBA-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.37
Rot. Bonds1

About 6-hydroxy-3H-benzimidazole-5-carboxamide

6-hydroxy-3H-benzimidazole-5-carboxamide (PubChem CID 130781668) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-hydroxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-3H-benzimidazole-5-carboxamide
PubChem CID130781668
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-hydroxy-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cc2[nH]cnc2cc1O
InChIInChI=1S/C8H7N3O2/c9-8(13)4-1-5-6(2-7(4)12)11-3-10-5/h1-3,12H,(H2,9,13)(H,10,11)
InChIKeyWWKRYVZOZQRGBA-UHFFFAOYSA-N
XLogP0.37
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1H-benzimidazol-5-ol
CID 82417589
6-(carbamothioylamino)-3H-benzimidazole-5-carboxylic acid
CID 169357904
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
(2S)-2-amino-3-(6-hydroxy-3H-benzimidazol-5-yl)propanoic acid;dihydrobromide
CID 22807429
6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
6-chloro-1H-benzimidazole-5-carboxylic acid
CID 57429095
6-amino-1H-benzimidazole-4-carboxamide
CID 121232289
5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
CID 175533008
6-methylsulfanyl-3H-benzimidazole-5-carbonyl chloride
CID 130999826
6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
CID 130864914
6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 157021510
4-chloro-1H-benzimidazole-5-carboxamide
CID 130877031

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-hydroxy-3H-benzimidazole-5-carboxamide (CID 130781668) is 6-hydroxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-hydroxy-3H-benzimidazole-5-carboxamide is NC(=O)c1cc2[nH]cnc2cc1O.
What is the InChIKey of 6-hydroxy-3H-benzimidazole-5-carboxamide?
The InChIKey is WWKRYVZOZQRGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-8(13)4-1-5-6(2-7(4)12)11-3-10-5/h1-3,12H,(H2,9,13)(H,10,11).
What are the key properties of 6-hydroxy-3H-benzimidazole-5-carboxamide?
6-hydroxy-3H-benzimidazole-5-carboxamide has a molecular weight of 177.16 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 130781668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).