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

C23H18N2O3 — CID 1290697

IUPAC4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-28-19-13-11-16(12-14-19)21-20(15-5-3-2-4-6-15)24-22(25-21)17-7-9-18(10-8-17)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyABZIHPOQAJFNOC-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.12
Rot. Bonds5

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

4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid (PubChem CID 1290697) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid
PubChem CID1290697
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid
SMILESCOc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-28-19-13-11-16(12-14-19)21-20(15-5-3-2-4-6-15)24-22(25-21)17-7-9-18(10-8-17)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyABZIHPOQAJFNOC-UHFFFAOYSA-N
XLogP5.12
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid (CID 1290697) is 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid is COc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
The InChIKey is ABZIHPOQAJFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-19-13-11-16(12-14-19)21-20(15-5-3-2-4-6-15)24-22(25-21)17-7-9-18(10-8-17)23(26)27/h2-14H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid?
4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 1290697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).