4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid

C38H26N4O4 — CID 3123820

IUPAC4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccc(C(=O)O)cc5)[nH]c4-c4ccccc4)c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C38H26N4O4/c43-37(44)27-18-14-25(15-19-27)35-39-31(23-8-3-1-4-9-23)33(41-35)29-12-7-13-30(22-29)34-32(24-10-5-2-6-11-24)40-36(42-34)26-16-20-28(21-17-26)38(45)46/h1-22H,(H,39,41)(H,40,42)(H,43,44)(H,45,46)
InChIKeyMIDLMXCUYGLFPO-UHFFFAOYSA-N
MW602.65 g/mol
LogP8.53
Rot. Bonds8

About 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid

4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid (PubChem CID 3123820) has the molecular formula C38H26N4O4 and a molecular weight of 602.65 g/mol. Its IUPAC name is 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
PubChem CID3123820
Molecular FormulaC38H26N4O4
Molecular Weight602.65 g/mol
Exact Mass602.20
IUPAC Name4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccc(C(=O)O)cc5)[nH]c4-c4ccccc4)c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C38H26N4O4/c43-37(44)27-18-14-25(15-19-27)35-39-31(23-8-3-1-4-9-23)33(41-35)29-12-7-13-30(22-29)34-32(24-10-5-2-6-11-24)40-36(42-34)26-16-20-28(21-17-26)38(45)46/h1-22H,(H,39,41)(H,40,42)(H,43,44)(H,45,46)
InChIKeyMIDLMXCUYGLFPO-UHFFFAOYSA-N
XLogP8.53
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.65
LogP ≤ 58.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
CID 2259189
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
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate
CID 157413088
N-hydroxy-3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzamide
CID 88918376

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid (CID 3123820) is 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccc(C(=O)O)cc5)[nH]c4-c4ccccc4)c3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid?
The InChIKey is MIDLMXCUYGLFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O4/c43-37(44)27-18-14-25(15-19-27)35-39-31(23-8-3-1-4-9-23)33(41-35)29-12-7-13-30(22-29)34-32(24-10-5-2-6-11-24)40-36(42-34)26-16-20-28(21-17-26)38(45)46/h1-22H,(H,39,41)(H,40,42)(H,43,44)(H,45,46).
What are the key properties of 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid?
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid has a molecular weight of 602.65 g/mol, XLogP of 8.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 3123820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).