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

C27H22Cl2FN3O2 — CID 163893686

IUPAC[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C27H22Cl2FN3O2/c28-18-9-11-19(12-10-18)33-17-24(31-25(33)20-5-1-3-7-22(20)29)26(34)32-15-13-27(35,14-16-32)21-6-2-4-8-23(21)30/h1-12,17,35H,13-16H2
InChIKeyQDSZWFWEPRZNSX-UHFFFAOYSA-N
MW510.40 g/mol
LogP6.11
Rot. Bonds4

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

[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 163893686) 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-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID163893686
Molecular FormulaC27H22Cl2FN3O2
Molecular Weight510.40 g/mol
Exact Mass509.11
IUPAC Name[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C27H22Cl2FN3O2/c28-18-9-11-19(12-10-18)33-17-24(31-25(33)20-5-1-3-7-22(20)29)26(34)32-15-13-27(35,14-16-32)21-6-2-4-8-23(21)30/h1-12,17,35H,13-16H2
InChIKeyQDSZWFWEPRZNSX-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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Related Compounds

[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)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
CID 22285617
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
CID 94946644
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide
CID 23398433
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]imidazole-4-carboxamide
CID 23398430
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone
CID 22285619
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide
CID 86591637
2-bromo-1-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]ethanone
CID 86592993
2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 59429679

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 163893686) is [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)N1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is QDSZWFWEPRZNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2FN3O2/c28-18-9-11-19(12-10-18)33-17-24(31-25(33)20-5-1-3-7-22(20)29)26(34)32-15-13-27(35,14-16-32)21-6-2-4-8-23(21)30/h1-12,17,35H,13-16H2.
What are the key properties of [2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-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-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 163893686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).