3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one

C31H32ClF2N3O — CID 142917316

IUPAC3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one
SMILESCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClF2N3O/c1-2-29-35-31(24-6-12-27(33)13-7-24,25-8-14-28(34)15-9-25)30(38)37(29)19-3-18-36-20-16-23(17-21-36)22-4-10-26(32)11-5-22/h4-15,23H,2-3,16-21H2,1H3
InChIKeyFMSOGCWTUPCNOW-UHFFFAOYSA-N
MW536.07 g/mol
LogP6.78
Rot. Bonds8

About 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one

3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one (PubChem CID 142917316) has the molecular formula C31H32ClF2N3O and a molecular weight of 536.07 g/mol. Its IUPAC name is 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one
PubChem CID142917316
Molecular FormulaC31H32ClF2N3O
Molecular Weight536.07 g/mol
Exact Mass535.22
IUPAC Name3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one
SMILESCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClF2N3O/c1-2-29-35-31(24-6-12-27(33)13-7-24,25-8-14-28(34)15-9-25)30(38)37(29)19-3-18-36-20-16-23(17-21-36)22-4-10-26(32)11-5-22/h4-15,23H,2-3,16-21H2,1H3
InChIKeyFMSOGCWTUPCNOW-UHFFFAOYSA-N
XLogP6.78
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.07
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
3-[[1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053788
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 10054089
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547
3-[(1-Benzylpyrrolidin-3-yl)methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10072908
3-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 10257420
2-[2-[2-(4-chlorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[2-(diethylamino)ethyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 58788237
3-[2-Fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 91036518
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
CID 91109180
(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one
CID 142917217
3-[3-[4-(2,4-Difluorophenyl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917223

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one?
The IUPAC name of 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one (CID 142917316) is 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one is CCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one?
The InChIKey is FMSOGCWTUPCNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClF2N3O/c1-2-29-35-31(24-6-12-27(33)13-7-24,25-8-14-28(34)15-9-25)30(38)37(29)19-3-18-36-20-16-23(17-21-36)22-4-10-26(32)11-5-22/h4-15,23H,2-3,16-21H2,1H3.
What are the key properties of 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one?
3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one has a molecular weight of 536.07 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one is sourced from PubChem (CID 142917316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).