2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid

C17H13N3O3 — CID 90451425

IUPAC2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C17H13N3O3/c21-16(13-3-1-2-4-14(13)17(22)23)20-12-7-5-11(6-8-12)15-18-9-10-19-15/h1-10H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyPFIXDHGSBSJIOW-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid

2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 90451425) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
PubChem CID90451425
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C17H13N3O3/c21-16(13-3-1-2-4-14(13)17(22)23)20-12-7-5-11(6-8-12)15-18-9-10-19-15/h1-10H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyPFIXDHGSBSJIOW-UHFFFAOYSA-N
XLogP3.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
CID 110748436
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
CID 60613377
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[[4-[6-[[2-[4-[(2-carboxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoic acid
CID 10305749
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
CID 68829715
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 70637125
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
CID 95687743

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid (CID 90451425) is 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is PFIXDHGSBSJIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16(13-3-1-2-4-14(13)17(22)23)20-12-7-5-11(6-8-12)15-18-9-10-19-15/h1-10H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid?
2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 90451425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).