[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone

C31H27Cl3F3N3O2 — CID 22285619

IUPAC[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone
SMILESCCCc1c(C(=O)N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C31H27Cl3F3N3O2/c1-2-5-26-27(38-28(22-6-3-4-7-24(22)33)40(26)21-11-9-20(32)10-12-21)29(41)39-16-14-30(42,15-17-39)19-8-13-25(34)23(18-19)31(35,36)37/h3-4,6-13,18,42H,2,5,14-17H2,1H3
InChIKeyMQEGGCKSJOPQFN-UHFFFAOYSA-N
MW636.93 g/mol
LogP8.59
Rot. Bonds6

About [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone

[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone (PubChem CID 22285619) has the molecular formula C31H27Cl3F3N3O2 and a molecular weight of 636.93 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone
PubChem CID22285619
Molecular FormulaC31H27Cl3F3N3O2
Molecular Weight636.93 g/mol
Exact Mass635.11
IUPAC Name[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone
SMILESCCCc1c(C(=O)N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C31H27Cl3F3N3O2/c1-2-5-26-27(38-28(22-6-3-4-7-24(22)33)40(26)21-11-9-20(32)10-12-21)29(41)39-16-14-30(42,15-17-39)19-8-13-25(34)23(18-19)31(35,36)37/h3-4,6-13,18,42H,2,5,14-17H2,1H3
InChIKeyMQEGGCKSJOPQFN-UHFFFAOYSA-N
XLogP8.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.93
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 174473520
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 161181256
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 10185862
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
CID 172783819
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
CID 11716504
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 163893686
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 19261885
1-(4-butylphenyl)sulfonyl-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3841970
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23072101
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
CID 90667461
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3579993

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone (CID 22285619) is [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone is CCCc1c(C(=O)N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is MQEGGCKSJOPQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl3F3N3O2/c1-2-5-26-27(38-28(22-6-3-4-7-24(22)33)40(26)21-11-9-20(32)10-12-21)29(41)39-16-14-30(42,15-17-39)19-8-13-25(34)23(18-19)31(35,36)37/h3-4,6-13,18,42H,2,5,14-17H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone?
[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 636.93 g/mol, XLogP of 8.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 22285619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).