1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide

C24H22Cl2F2N4O2 — CID 88531092

IUPAC1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c(-n2c(C3CCCCC3)nc(C(N)=O)c2-c2ccc(F)c(Cl)c2)c(F)c1Cl
InChIInChI=1S/C24H22Cl2F2N4O2/c1-11-9-14(22(29)33)21(18(28)17(11)26)32-20(13-7-8-16(27)15(25)10-13)19(23(30)34)31-24(32)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,29,33)(H2,30,34)
InChIKeyBUARNLSBIPHTIE-UHFFFAOYSA-N
MW507.37 g/mol
LogP5.68
Rot. Bonds5

About 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide

1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide (PubChem CID 88531092) has the molecular formula C24H22Cl2F2N4O2 and a molecular weight of 507.37 g/mol. Its IUPAC name is 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
PubChem CID88531092
Molecular FormulaC24H22Cl2F2N4O2
Molecular Weight507.37 g/mol
Exact Mass506.11
IUPAC Name1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c(-n2c(C3CCCCC3)nc(C(N)=O)c2-c2ccc(F)c(Cl)c2)c(F)c1Cl
InChIInChI=1S/C24H22Cl2F2N4O2/c1-11-9-14(22(29)33)21(18(28)17(11)26)32-20(13-7-8-16(27)15(25)10-13)19(23(30)34)31-24(32)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,29,33)(H2,30,34)
InChIKeyBUARNLSBIPHTIE-UHFFFAOYSA-N
XLogP5.68
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67954434
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
1-[2-(acetamidomethyl)-5-chlorophenyl]-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031990
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
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
CID 67031858
5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
CID 67032499
2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide
CID 67954180
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
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
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
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
N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide
CID 174651929

Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide?
The IUPAC name of 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide (CID 88531092) is 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide.
What is the SMILES notation for 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide?
The canonical SMILES for 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide is Cc1cc(C(N)=O)c(-n2c(C3CCCCC3)nc(C(N)=O)c2-c2ccc(F)c(Cl)c2)c(F)c1Cl.
What is the InChIKey of 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide?
The InChIKey is BUARNLSBIPHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F2N4O2/c1-11-9-14(22(29)33)21(18(28)17(11)26)32-20(13-7-8-16(27)15(25)10-13)19(23(30)34)31-24(32)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,29,33)(H2,30,34).
What are the key properties of 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide?
1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide has a molecular weight of 507.37 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide is sourced from PubChem (CID 88531092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).