1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid

C23H17ClN2O2 — CID 22437354

IUPAC1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C23H17ClN2O2/c24-19-14-8-7-13-18(19)21-20(23(27)28)25-22(17-11-5-2-6-12-17)26(21)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,27,28)
InChIKeyVJBGYVHUMDIXNR-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.62
Rot. Bonds5

About 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid

1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid (PubChem CID 22437354) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
PubChem CID22437354
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C23H17ClN2O2/c24-19-14-8-7-13-18(19)21-20(23(27)28)25-22(17-11-5-2-6-12-17)26(21)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,27,28)
InChIKeyVJBGYVHUMDIXNR-UHFFFAOYSA-N
XLogP5.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
The IUPAC name of 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid (CID 22437354) is 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1Cl.
What is the InChIKey of 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
The InChIKey is VJBGYVHUMDIXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-19-14-8-7-13-18(19)21-20(23(27)28)25-22(17-11-5-2-6-12-17)26(21)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,27,28).
What are the key properties of 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid has a molecular weight of 388.85 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 22437354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).