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

C23H14Cl2F2N2O2 — CID 174651933

IUPAC5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)c(-c2ccc(F)c(Cl)c2)n1-c1cc(Cl)ccc1F
InChIInChI=1S/C23H14Cl2F2N2O2/c1-12-4-2-3-5-15(12)22-28-20(23(30)31)21(13-6-8-17(26)16(25)10-13)29(22)19-11-14(24)7-9-18(19)27/h2-11H,1H3,(H,30,31)
InChIKeyRTIQWQNPSVWBQC-UHFFFAOYSA-N
MW459.28 g/mol
LogP6.80
Rot. Bonds4

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

5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 174651933) has the molecular formula C23H14Cl2F2N2O2 and a molecular weight of 459.28 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
PubChem CID174651933
Molecular FormulaC23H14Cl2F2N2O2
Molecular Weight459.28 g/mol
Exact Mass458.04
IUPAC Name5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)c(-c2ccc(F)c(Cl)c2)n1-c1cc(Cl)ccc1F
InChIInChI=1S/C23H14Cl2F2N2O2/c1-12-4-2-3-5-15(12)22-28-20(23(30)31)21(13-6-8-17(26)16(25)10-13)29(22)19-11-14(24)7-9-18(19)27/h2-11H,1H3,(H,30,31)
InChIKeyRTIQWQNPSVWBQC-UHFFFAOYSA-N
XLogP6.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.28
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid (CID 174651933) is 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid is Cc1ccccc1-c1nc(C(=O)O)c(-c2ccc(F)c(Cl)c2)n1-c1cc(Cl)ccc1F.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is RTIQWQNPSVWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F2N2O2/c1-12-4-2-3-5-15(12)22-28-20(23(30)31)21(13-6-8-17(26)16(25)10-13)29(22)19-11-14(24)7-9-18(19)27/h2-11H,1H3,(H,30,31).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid?
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 459.28 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 174651933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).