5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid

C24H17Cl2FN2O2 — CID 67954123

IUPAC5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)c(-c3cccc(Cl)c3F)n2-c2cc(Cl)ccc2C)c1
InChIInChI=1S/C24H17Cl2FN2O2/c1-13-5-3-6-15(11-13)23-28-21(24(30)31)22(17-7-4-8-18(26)20(17)27)29(23)19-12-16(25)10-9-14(19)2/h3-12H,1-2H3,(H,30,31)
InChIKeyTUEQVHSLTFMDHJ-UHFFFAOYSA-N
MW455.32 g/mol
LogP6.97
Rot. Bonds4

About 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid

5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 67954123) has the molecular formula C24H17Cl2FN2O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
PubChem CID67954123
Molecular FormulaC24H17Cl2FN2O2
Molecular Weight455.32 g/mol
Exact Mass454.07
IUPAC Name5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)c(-c3cccc(Cl)c3F)n2-c2cc(Cl)ccc2C)c1
InChIInChI=1S/C24H17Cl2FN2O2/c1-13-5-3-6-15(11-13)23-28-21(24(30)31)22(17-7-4-8-18(26)20(17)27)29(23)19-12-16(25)10-9-14(19)2/h3-12H,1-2H3,(H,30,31)
InChIKeyTUEQVHSLTFMDHJ-UHFFFAOYSA-N
XLogP6.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.32
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid (CID 67954123) is 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid is Cc1cccc(-c2nc(C(=O)O)c(-c3cccc(Cl)c3F)n2-c2cc(Cl)ccc2C)c1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is TUEQVHSLTFMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O2/c1-13-5-3-6-15(11-13)23-28-21(24(30)31)22(17-7-4-8-18(26)20(17)27)29(23)19-12-16(25)10-9-14(19)2/h3-12H,1-2H3,(H,30,31).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 455.32 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 67954123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).