2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide

C15H13N3O2 — CID 10778228

IUPAC2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12
InChIInChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18)
InChIKeyZATXFBUSDJEEOC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.82
Rot. Bonds3

About 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10778228) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID10778228
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12
InChIInChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18)
InChIKeyZATXFBUSDJEEOC-UHFFFAOYSA-N
XLogP1.82
TPSA92.00 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 ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 10778228) is 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is ZATXFBUSDJEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10778228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).