2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide

C29H25Cl2F2N3O — CID 175273459

IUPAC2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
SMILESCc1cccc(-c2nc(C3CCCCC3)n(-c3cccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)c1C(N)=O
InChIInChI=1S/C29H25Cl2F2N3O/c1-16-7-5-10-19(24(16)28(34)37)26-27(18-13-14-22(32)21(31)15-18)36(23-12-6-11-20(30)25(23)33)29(35-26)17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9H2,1H3,(H2,34,37)
InChIKeyGQKIUFNNODFRRT-UHFFFAOYSA-N
MW540.44 g/mol
LogP8.25
Rot. Bonds5

About 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide

2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide (PubChem CID 175273459) has the molecular formula C29H25Cl2F2N3O and a molecular weight of 540.44 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
PubChem CID175273459
Molecular FormulaC29H25Cl2F2N3O
Molecular Weight540.44 g/mol
Exact Mass539.13
IUPAC Name2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
SMILESCc1cccc(-c2nc(C3CCCCC3)n(-c3cccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)c1C(N)=O
InChIInChI=1S/C29H25Cl2F2N3O/c1-16-7-5-10-19(24(16)28(34)37)26-27(18-13-14-22(32)21(31)15-18)36(23-12-6-11-20(30)25(23)33)29(35-26)17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9H2,1H3,(H2,34,37)
InChIKeyGQKIUFNNODFRRT-UHFFFAOYSA-N
XLogP8.25
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.44
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
CID 67032499
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-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67954434
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
CID 67032721
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
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
CID 67031858
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
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
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 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide?
The IUPAC name of 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide (CID 175273459) is 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide.
What is the SMILES notation for 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide?
The canonical SMILES for 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide is Cc1cccc(-c2nc(C3CCCCC3)n(-c3cccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)c1C(N)=O.
What is the InChIKey of 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide?
The InChIKey is GQKIUFNNODFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2F2N3O/c1-16-7-5-10-19(24(16)28(34)37)26-27(18-13-14-22(32)21(31)15-18)36(23-12-6-11-20(30)25(23)33)29(35-26)17-8-3-2-4-9-17/h5-7,10-15,17H,2-4,8-9H2,1H3,(H2,34,37).
What are the key properties of 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide?
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide has a molecular weight of 540.44 g/mol, XLogP of 8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide is sourced from PubChem (CID 175273459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).