(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one

C24H27ClFN3O — CID 142917217

IUPAC(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one
SMILESC[C@@]1(c2ccc(Cl)cc2)N=C(CCCN2CCC(c3ccc(F)cc3)CC2)NC1=O
InChIInChI=1S/C24H27ClFN3O/c1-24(19-6-8-20(25)9-7-19)23(30)27-22(28-24)3-2-14-29-15-12-18(13-16-29)17-4-10-21(26)11-5-17/h4-11,18H,2-3,12-16H2,1H3,(H,27,28,30)/t24-/m0/s1
InChIKeyFFRJYQNHHTUDFW-DEOSSOPVSA-N
MW427.95 g/mol
LogP4.88
Rot. Bonds6

About (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one

(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one (PubChem CID 142917217) has the molecular formula C24H27ClFN3O and a molecular weight of 427.95 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one
PubChem CID142917217
Molecular FormulaC24H27ClFN3O
Molecular Weight427.95 g/mol
Exact Mass427.18
IUPAC Name(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one
SMILESC[C@@]1(c2ccc(Cl)cc2)N=C(CCCN2CCC(c3ccc(F)cc3)CC2)NC1=O
InChIInChI=1S/C24H27ClFN3O/c1-24(19-6-8-20(25)9-7-19)23(30)27-22(28-24)3-2-14-29-15-12-18(13-16-29)17-4-10-21(26)11-5-17/h4-11,18H,2-3,12-16H2,1H3,(H,27,28,30)/t24-/m0/s1
InChIKeyFFRJYQNHHTUDFW-DEOSSOPVSA-N
XLogP4.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,5-bis(4-chlorophenyl)-3-cyclohexylimidazol-4-one
CID 76332092
8-(3-Chloro-5-fluorobenzoyl)-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46982611
5,5-Bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 10387394
2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one
CID 67762326
(2S)-1-[4-[C-[(5R)-2-amino-5-methylcyclopenten-1-yl]-N-ethenylcarbonimidoyl]piperazin-1-yl]-2-(4-chloro-3-fluorophenyl)-3-(2-methylpropylamino)propan-1-one
CID 70308835
(2S)-1-[4-[C-[(5R)-2-amino-5-methylcyclopenten-1-yl]-N-ethenylcarbonimidoyl]piperazin-1-yl]-2-(4-chloro-3-fluorophenyl)-3-(cyclopropylmethylamino)propan-1-one
CID 89299446
2-(4-Chloro-2-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118480257
4-[2-Tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-2-one
CID 118880898
4-[2-Tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606265
(2S)-2-(4-chloro-3-fluorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-[(5R)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 132175095
(2S)-2-(4-chloro-3-fluorophenyl)-1-[4-[(5R)-5-methyl-2-(methylamino)cyclopentene-1-carboximidoyl]piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 136462437
(2R)-2-(4-chloro-3-fluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-[4-[(5R)-5-methyl-2-(methylamino)cyclopentene-1-carboximidoyl]piperazin-1-yl]propan-1-one
CID 136462456

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one?
The IUPAC name of (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one (CID 142917217) is (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one is C[C@@]1(c2ccc(Cl)cc2)N=C(CCCN2CCC(c3ccc(F)cc3)CC2)NC1=O.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one?
The InChIKey is FFRJYQNHHTUDFW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27ClFN3O/c1-24(19-6-8-20(25)9-7-19)23(30)27-22(28-24)3-2-14-29-15-12-18(13-16-29)17-4-10-21(26)11-5-17/h4-11,18H,2-3,12-16H2,1H3,(H,27,28,30)/t24-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one?
(4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one has a molecular weight of 427.95 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-2-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 142917217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).