[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

C27H22Cl2FN3O2 — CID 10185862

IUPAC[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H22Cl2FN3O2/c28-19-7-11-21(12-8-19)33-17-24(31-25(33)22-3-1-2-4-23(22)29)26(34)32-15-13-27(35,14-16-32)18-5-9-20(30)10-6-18/h1-12,17,35H,13-16H2
InChIKeyYGHIVNHILCXCKL-UHFFFAOYSA-N
MW510.40 g/mol
LogP6.11
Rot. Bonds4

About [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 10185862) has the molecular formula C27H22Cl2FN3O2 and a molecular weight of 510.40 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID10185862
Molecular FormulaC27H22Cl2FN3O2
Molecular Weight510.40 g/mol
Exact Mass509.11
IUPAC Name[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H22Cl2FN3O2/c28-19-7-11-21(12-8-19)33-17-24(31-25(33)22-3-1-2-4-23(22)29)26(34)32-15-13-27(35,14-16-32)18-5-9-20(30)10-6-18/h1-12,17,35H,13-16H2
InChIKeyYGHIVNHILCXCKL-UHFFFAOYSA-N
XLogP6.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.40
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 10185862) is [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is YGHIVNHILCXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2FN3O2/c28-19-7-11-21(12-8-19)33-17-24(31-25(33)22-3-1-2-4-23(22)29)26(34)32-15-13-27(35,14-16-32)18-5-9-20(30)10-6-18/h1-12,17,35H,13-16H2.
What are the key properties of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 510.40 g/mol, XLogP of 6.11, 4 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)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 10185862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).