2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid

C22H16N2O2 — CID 2538348

IUPAC2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H16N2O2/c25-22(26)18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26)
InChIKeyUALPLQXZXWXMAM-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.11
Rot. Bonds4

About 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid

2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid (PubChem CID 2538348) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
PubChem CID2538348
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H16N2O2/c25-22(26)18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26)
InChIKeyUALPLQXZXWXMAM-UHFFFAOYSA-N
XLogP5.11
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.11
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-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
CID 139214742
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[5-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]benzoic acid
CID 135638731
2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
CID 54520537
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol
CID 135755905
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole
CID 71231270
3-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenoxy]-2-oxopropanoic acid
CID 59107126
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid (CID 2538348) is 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid is O=C(O)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid?
The InChIKey is UALPLQXZXWXMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26)18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26).
What are the key properties of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid?
2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 2538348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).