2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

C24H20N2O2 — CID 46882061

IUPAC2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28)
InChIKeyMPOMHLWNVYEWLR-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.23
Rot. Bonds6

About 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (PubChem CID 46882061) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
PubChem CID46882061
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28)
InChIKeyMPOMHLWNVYEWLR-UHFFFAOYSA-N
XLogP5.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
2-(1H-1,3-benzodiazol-2-yl)benzoic acid
CID 318130
4-(1H-imidazol-2-yl)benzoic Acid
CID 1475901
2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 25025654
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46845425
4-[[2-butyl-5-[(E)-2-carboxyhex-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952957
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid
CID 59345567
4-[(2S)-2-amino-3-[benzyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 71449607
2-[(E)-2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-benzoic acid
CID 5711478
4-(4-Phenyl-5-p-tolyl-1H-imidazol-2-yl)-benzoic acid
CID 1101900
2-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid
CID 4110026

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (CID 46882061) is 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The InChIKey is MPOMHLWNVYEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid has a molecular weight of 368.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46882061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).