2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide

C15H13N3O2 — CID 137189921

IUPAC2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(-c3ccccc3O)nc12
InChIInChI=1S/C15H13N3O2/c1-16-15(20)10-6-4-7-11-13(10)18-14(17-11)9-5-2-3-8-12(9)19/h2-8,19H,1H3,(H,16,20)(H,17,18)
InChIKeyQSURZOXPWXYUCR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.30
Rot. Bonds2

About 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide

2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 137189921) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide
PubChem CID137189921
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(-c3ccccc3O)nc12
InChIInChI=1S/C15H13N3O2/c1-16-15(20)10-6-4-7-11-13(10)18-14(17-11)9-5-2-3-8-12(9)19/h2-8,19H,1H3,(H,16,20)(H,17,18)
InChIKeyQSURZOXPWXYUCR-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide (CID 137189921) is 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide is CNC(=O)c1cccc2[nH]c(-c3ccccc3O)nc12.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is QSURZOXPWXYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-16-15(20)10-6-4-7-11-13(10)18-14(17-11)9-5-2-3-8-12(9)19/h2-8,19H,1H3,(H,16,20)(H,17,18).
What are the key properties of 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide?
2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 137189921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).