(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C27H26ClF3N4O — CID 69045205

IUPAC(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1C(c1ccc(Cl)cc1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C27H26ClF3N4O/c28-22-10-7-18(8-11-22)25(20-9-12-24(32-16-20)34-13-2-1-3-14-34)35-23(17-33-26(35)36)19-5-4-6-21(15-19)27(29,30)31/h4-12,15-16,23,25H,1-3,13-14,17H2,(H,33,36)/t23-,25?/m1/s1
InChIKeyCNUKHZQDAILYJY-XQZUBTRRSA-N
MW514.98 g/mol
LogP6.60
Rot. Bonds5

About (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69045205) has the molecular formula C27H26ClF3N4O and a molecular weight of 514.98 g/mol. Its IUPAC name is (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69045205
Molecular FormulaC27H26ClF3N4O
Molecular Weight514.98 g/mol
Exact Mass514.17
IUPAC Name(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1C(c1ccc(Cl)cc1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C27H26ClF3N4O/c28-22-10-7-18(8-11-22)25(20-9-12-24(32-16-20)34-13-2-1-3-14-34)35-23(17-33-26(35)36)19-5-4-6-21(15-19)27(29,30)31/h4-12,15-16,23,25H,1-3,13-14,17H2,(H,33,36)/t23-,25?/m1/s1
InChIKeyCNUKHZQDAILYJY-XQZUBTRRSA-N
XLogP6.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.98
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one with MolForge

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Related Compounds

(5S)-1-[1-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69044587
(4S)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 59485882
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 75194160
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55687937
1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048368
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55749894
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55914778
1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24506534

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69045205) is (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NC[C@H](c2cccc(C(F)(F)F)c2)N1C(c1ccc(Cl)cc1)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is CNUKHZQDAILYJY-XQZUBTRRSA-N. The full InChI is InChI=1S/C27H26ClF3N4O/c28-22-10-7-18(8-11-22)25(20-9-12-24(32-16-20)34-13-2-1-3-14-34)35-23(17-33-26(35)36)19-5-4-6-21(15-19)27(29,30)31/h4-12,15-16,23,25H,1-3,13-14,17H2,(H,33,36)/t23-,25?/m1/s1.
What are the key properties of (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 514.98 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).