N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide

C15H13N3O2 — CID 2439812

IUPACN-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc[nH]c3c2)c(O)c1
InChIInChI=1S/C15H13N3O2/c1-9-2-4-12(14(19)6-9)18-15(20)10-3-5-11-13(7-10)17-8-16-11/h2-8,19H,1H3,(H,16,17)(H,18,20)
InChIKeyLDTPSZBVYGWICW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.83
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide

N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 2439812) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID2439812
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc[nH]c3c2)c(O)c1
InChIInChI=1S/C15H13N3O2/c1-9-2-4-12(14(19)6-9)18-15(20)10-3-5-11-13(7-10)17-8-16-11/h2-8,19H,1H3,(H,16,17)(H,18,20)
InChIKeyLDTPSZBVYGWICW-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': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide (CID 2439812) is N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LDTPSZBVYGWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-2-4-12(14(19)6-9)18-15(20)10-3-5-11-13(7-10)17-8-16-11/h2-8,19H,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide?
N-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-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-(2-hydroxy-4-methylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2439812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).