N-hydroxy-1H-benzimidazole-2-carboxamide

C8H7N3O2 — CID 21114230

IUPACN-hydroxy-1H-benzimidazole-2-carboxamide
SMILESO=C(NO)c1nc2ccccc2[nH]1
InChIInChI=1S/C8H7N3O2/c12-8(11-13)7-9-5-3-1-2-4-6(5)10-7/h1-4,13H,(H,9,10)(H,11,12)
InChIKeyDVYWFTGGRQIKJS-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.68
Rot. Bonds1

About N-hydroxy-1H-benzimidazole-2-carboxamide

N-hydroxy-1H-benzimidazole-2-carboxamide (PubChem CID 21114230) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is N-hydroxy-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1H-benzimidazole-2-carboxamide
PubChem CID21114230
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC NameN-hydroxy-1H-benzimidazole-2-carboxamide
SMILESO=C(NO)c1nc2ccccc2[nH]1
InChIInChI=1S/C8H7N3O2/c12-8(11-13)7-9-5-3-1-2-4-6(5)10-7/h1-4,13H,(H,9,10)(H,11,12)
InChIKeyDVYWFTGGRQIKJS-UHFFFAOYSA-N
XLogP0.68
TPSA78.01 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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
CID 135580435
N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468823
N-pyrazin-2-yl-1H-benzimidazole-2-carboxamide
CID 14371322
1H-benzimidazol-2-yl-(2-bromophenyl)methanone
CID 13260204
N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468789
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-hydroxy-1H-benzimidazole-2-carboxamide (CID 21114230) is N-hydroxy-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-hydroxy-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-hydroxy-1H-benzimidazole-2-carboxamide is O=C(NO)c1nc2ccccc2[nH]1.
What is the InChIKey of N-hydroxy-1H-benzimidazole-2-carboxamide?
The InChIKey is DVYWFTGGRQIKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8(11-13)7-9-5-3-1-2-4-6(5)10-7/h1-4,13H,(H,9,10)(H,11,12).
What are the key properties of N-hydroxy-1H-benzimidazole-2-carboxamide?
N-hydroxy-1H-benzimidazole-2-carboxamide has a molecular weight of 177.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 21114230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).