[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

C22H20Cl3N3O2 — CID 11784543

IUPAC[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl3N3O2/c1-13-20(22(30)27-10-8-17(29)9-11-27)26-21(18-7-4-15(24)12-19(18)25)28(13)16-5-2-14(23)3-6-16/h2-7,12,17,29H,8-11H2,1H3
InChIKeyJHZQLCVGUFCRSM-UHFFFAOYSA-N
MW464.78 g/mol
LogP5.40
Rot. Bonds3

About [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 11784543) has the molecular formula C22H20Cl3N3O2 and a molecular weight of 464.78 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID11784543
Molecular FormulaC22H20Cl3N3O2
Molecular Weight464.78 g/mol
Exact Mass463.06
IUPAC Name[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl3N3O2/c1-13-20(22(30)27-10-8-17(29)9-11-27)26-21(18-7-4-15(24)12-19(18)25)28(13)16-5-2-14(23)3-6-16/h2-7,12,17,29H,8-11H2,1H3
InChIKeyJHZQLCVGUFCRSM-UHFFFAOYSA-N
XLogP5.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 11784543) is [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is JHZQLCVGUFCRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3N3O2/c1-13-20(22(30)27-10-8-17(29)9-11-27)26-21(18-7-4-15(24)12-19(18)25)28(13)16-5-2-14(23)3-6-16/h2-7,12,17,29H,8-11H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 464.78 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 11784543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).