1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one

C29H28ClN3O4S — CID 158659278

IUPAC1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one
SMILESCc1cccc(C2C(c3ccc(S(C)(=O)=O)cc3)N=C(c3cccc(Cl)c3)N2C(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C29H28ClN3O4S/c1-19-5-3-6-21(17-19)27-26(20-9-11-25(12-10-20)38(2,36)37)31-28(22-7-4-8-23(30)18-22)33(27)29(35)32-15-13-24(34)14-16-32/h3-12,17-18,26-27H,13-16H2,1-2H3
InChIKeyICNWLPSAOYYSDC-UHFFFAOYSA-N
MW550.08 g/mol
LogP5.38
Rot. Bonds4

About 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one

1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one (PubChem CID 158659278) has the molecular formula C29H28ClN3O4S and a molecular weight of 550.08 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one
PubChem CID158659278
Molecular FormulaC29H28ClN3O4S
Molecular Weight550.08 g/mol
Exact Mass549.15
IUPAC Name1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one
SMILESCc1cccc(C2C(c3ccc(S(C)(=O)=O)cc3)N=C(c3cccc(Cl)c3)N2C(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C29H28ClN3O4S/c1-19-5-3-6-21(17-19)27-26(20-9-11-25(12-10-20)38(2,36)37)31-28(22-7-4-8-23(30)18-22)33(27)29(35)32-15-13-24(34)14-16-32/h3-12,17-18,26-27H,13-16H2,1-2H3
InChIKeyICNWLPSAOYYSDC-UHFFFAOYSA-N
XLogP5.38
TPSA87.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.08
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one
CID 146587589
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880928
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880931
1-[5-(4-chlorophenyl)-2-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-3-one
CID 158045401
4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880947
4-[5-(3-chlorophenyl)-2,4-bis[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880975
[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone
CID 59792793
3-[4,5-bis(4-chlorophenyl)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 11853125
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
4-[(4S,5R)-4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-3-ethoxybenzonitrile
CID 11855977
3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid
CID 22107174
[2-(4-chloro-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 22720972

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one (CID 158659278) is 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one is Cc1cccc(C2C(c3ccc(S(C)(=O)=O)cc3)N=C(c3cccc(Cl)c3)N2C(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one?
The InChIKey is ICNWLPSAOYYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O4S/c1-19-5-3-6-21(17-19)27-26(20-9-11-25(12-10-20)38(2,36)37)31-28(22-7-4-8-23(30)18-22)33(27)29(35)32-15-13-24(34)14-16-32/h3-12,17-18,26-27H,13-16H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one?
1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one has a molecular weight of 550.08 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-4-one is sourced from PubChem (CID 158659278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).