N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide

C15H13N3O2 — CID 110468789

IUPACN-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O2/c1-9-8-10(19)6-7-11(9)18-15(20)14-16-12-4-2-3-5-13(12)17-14/h2-8,19H,1H3,(H,16,17)(H,18,20)
InChIKeyXIGITTMXHDGJOA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.83
Rot. Bonds2

About N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide

N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide (PubChem CID 110468789) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
PubChem CID110468789
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O2/c1-9-8-10(19)6-7-11(9)18-15(20)14-16-12-4-2-3-5-13(12)17-14/h2-8,19H,1H3,(H,16,17)(H,18,20)
InChIKeyXIGITTMXHDGJOA-UHFFFAOYSA-N
XLogP2.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468823
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
CID 136716967
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
N-pyrazin-2-yl-1H-benzimidazole-2-carboxamide
CID 14371322
N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902034
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazole-2-carbothioic S-acid
CID 19781386

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide (CID 110468789) is N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide is Cc1cc(O)ccc1NC(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is XIGITTMXHDGJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-8-10(19)6-7-11(9)18-15(20)14-16-12-4-2-3-5-13(12)17-14/h2-8,19H,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide?
N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 110468789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).