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

C14H11N3O2 — CID 135546482

IUPAC2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
InChIKeyKOUGHMOSYJCJLE-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.03
Rot. Bonds2

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

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 135546482) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID135546482
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
InChIKeyKOUGHMOSYJCJLE-UHFFFAOYSA-N
XLogP2.03
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide (CID 135546482) is 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is KOUGHMOSYJCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17).
What are the key properties of 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide?
2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 135546482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).