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

C23H21Cl2FN2O2 — CID 67954434

IUPAC5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1c(C2CCCCC2)nc(C(=O)O)c1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H21Cl2FN2O2/c1-13-7-9-16(24)12-19(13)28-21(15-8-10-18(26)17(25)11-15)20(23(29)30)27-22(28)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,29,30)
InChIKeyDDTQWNIACGQZJI-UHFFFAOYSA-N
MW447.34 g/mol
LogP7.04
Rot. Bonds4

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

5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid (PubChem CID 67954434) has the molecular formula C23H21Cl2FN2O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
PubChem CID67954434
Molecular FormulaC23H21Cl2FN2O2
Molecular Weight447.34 g/mol
Exact Mass446.10
IUPAC Name5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1c(C2CCCCC2)nc(C(=O)O)c1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H21Cl2FN2O2/c1-13-7-9-16(24)12-19(13)28-21(15-8-10-18(26)17(25)11-15)20(23(29)30)27-22(28)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,29,30)
InChIKeyDDTQWNIACGQZJI-UHFFFAOYSA-N
XLogP7.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(acetamidomethyl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031990
1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
CID 88531092
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
CID 174651933
2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid
CID 67954203
5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031816
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate
CID 67954358
2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chlorophenyl]-3,3-dimethylbutanamide
CID 142789828
N-butyl-2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]acetamide
CID 175273399
1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 67954522
5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 67954123
1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
CID 67035838

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid (CID 67954434) is 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid is Cc1ccc(Cl)cc1-n1c(C2CCCCC2)nc(C(=O)O)c1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid?
The InChIKey is DDTQWNIACGQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2/c1-13-7-9-16(24)12-19(13)28-21(15-8-10-18(26)17(25)11-15)20(23(29)30)27-22(28)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,29,30).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid?
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid has a molecular weight of 447.34 g/mol, XLogP of 7.04, 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-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid is sourced from PubChem (CID 67954434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).