1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid

C22H13Cl2FN2O2 — CID 67035838

IUPAC1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)n(-c2ccc(F)c(Cl)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H13Cl2FN2O2/c23-15-8-4-7-14(11-15)20-19(22(28)29)26-21(13-5-2-1-3-6-13)27(20)16-9-10-18(25)17(24)12-16/h1-12H,(H,28,29)
InChIKeyOLNJRNLYCSPGQO-UHFFFAOYSA-N
MW427.26 g/mol
LogP6.35
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid

1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid (PubChem CID 67035838) has the molecular formula C22H13Cl2FN2O2 and a molecular weight of 427.26 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
PubChem CID67035838
Molecular FormulaC22H13Cl2FN2O2
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)n(-c2ccc(F)c(Cl)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H13Cl2FN2O2/c23-15-8-4-7-14(11-15)20-19(22(28)29)26-21(13-5-2-1-3-6-13)27(20)16-9-10-18(25)17(24)12-16/h1-12H,(H,28,29)
InChIKeyOLNJRNLYCSPGQO-UHFFFAOYSA-N
XLogP6.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid (CID 67035838) is 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)n(-c2ccc(F)c(Cl)c2)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
The InChIKey is OLNJRNLYCSPGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN2O2/c23-15-8-4-7-14(11-15)20-19(22(28)29)26-21(13-5-2-1-3-6-13)27(20)16-9-10-18(25)17(24)12-16/h1-12H,(H,28,29).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid?
1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid has a molecular weight of 427.26 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 67035838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).