N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide

C15H13N3O2 — CID 110473116

IUPACN-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H13N3O2/c19-12-4-1-10(2-5-12)8-16-15(20)11-3-6-13-14(7-11)18-9-17-13/h1-7,9,19H,8H2,(H,16,20)(H,17,18)
InChIKeyYQNARTKNFPJNCW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.20
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110473116) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110473116
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H13N3O2/c19-12-4-1-10(2-5-12)8-16-15(20)11-3-6-13-14(7-11)18-9-17-13/h1-7,9,19H,8H2,(H,16,20)(H,17,18)
InChIKeyYQNARTKNFPJNCW-UHFFFAOYSA-N
XLogP2.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 110473116) is N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1ccc(O)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YQNARTKNFPJNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-12-4-1-10(2-5-12)8-16-15(20)11-3-6-13-14(7-11)18-9-17-13/h1-7,9,19H,8H2,(H,16,20)(H,17,18).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110473116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).