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

C23H18N2O2 — CID 1101900

IUPAC4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid
SMILESCc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c1-15-7-9-17(10-8-15)21-20(16-5-3-2-4-6-16)24-22(25-21)18-11-13-19(14-12-18)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyFOPCFDNZNVYFOX-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.42
Rot. Bonds4

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

4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid (PubChem CID 1101900) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid
PubChem CID1101900
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid
SMILESCc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c1-15-7-9-17(10-8-15)21-20(16-5-3-2-4-6-16)24-22(25-21)18-11-13-19(14-12-18)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyFOPCFDNZNVYFOX-UHFFFAOYSA-N
XLogP5.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

2-(1H-1,3-benzodiazol-2-yl)benzoic acid
CID 318130
3-(1H-Benzimidazol-2-yl)benzoic acid
CID 749289
US11028054, Example 25
CID 146525397
2-(1,3-Dihydro-benzoimidazol-2-ylidene)-1,3-diphenyl-propane-1,3-dione
CID 135406049
2-[(E)-2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-benzoic acid
CID 5711478
Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate
CID 2328806
2-[4-(2-Butylbenzimidazol-1-yl)methylphenyl]benzoic acid
CID 4110026
4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid
CID 10089114
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
3-[[5-(2-cyclohexylethyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 11495719
4'-[(2-n-Pentyl-benzimidazol-1-yl)-methyl]biphenyl-2-carboxylic acid
CID 15069292
methyl 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]benzoate
CID 15512298

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid (CID 1101900) is 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid is Cc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
The InChIKey is FOPCFDNZNVYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-15-7-9-17(10-8-15)21-20(16-5-3-2-4-6-16)24-22(25-21)18-11-13-19(14-12-18)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid has a molecular weight of 354.41 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 1101900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).