1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

C32H35N5O3S — CID 143725207

IUPAC1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
SMILESO=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)c3ccccc3)C2)c(=O)n1Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C32H35N5O3S/c38-31(34-21-18-33-19-22-34)30-29(26-13-6-2-7-14-26)37(32(39)36(30)23-25-11-4-1-5-12-25)27-15-10-20-35(24-27)41(40)28-16-8-3-9-17-28/h1-9,11-14,16-17,27,33H,10,15,18-24H2
InChIKeyNKOJEOZOGKZKHV-UHFFFAOYSA-N
MW569.73 g/mol
LogP3.77
Rot. Bonds7

About 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 143725207) has the molecular formula C32H35N5O3S and a molecular weight of 569.73 g/mol. Its IUPAC name is 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

Compound Name1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
PubChem CID143725207
Molecular FormulaC32H35N5O3S
Molecular Weight569.73 g/mol
Exact Mass569.25
IUPAC Name1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
SMILESO=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)c3ccccc3)C2)c(=O)n1Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C32H35N5O3S/c38-31(34-21-18-33-19-22-34)30-29(26-13-6-2-7-14-26)37(32(39)36(30)23-25-11-4-1-5-12-25)27-15-10-20-35(24-27)41(40)28-16-8-3-9-17-28/h1-9,11-14,16-17,27,33H,10,15,18-24H2
InChIKeyNKOJEOZOGKZKHV-UHFFFAOYSA-N
XLogP3.77
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]-3-methylbutanamide
CID 66829551
1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
CID 143725255
2-[3-[[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]-N-methylacetamide
CID 59292456
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-phenoxyethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292573
1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292723
N-methyl-2-[3-[[3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]acetamide
CID 59292438
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292773
1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292726
3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid
CID 91352204
N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
CID 158321550
1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292507

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
The IUPAC name of 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (CID 143725207) is 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.
What is the SMILES notation for 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
The canonical SMILES for 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)c3ccccc3)C2)c(=O)n1Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
The InChIKey is NKOJEOZOGKZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3S/c38-31(34-21-18-33-19-22-34)30-29(26-13-6-2-7-14-26)37(32(39)36(30)23-25-11-4-1-5-12-25)27-15-10-20-35(24-27)41(40)28-16-8-3-9-17-28/h1-9,11-14,16-17,27,33H,10,15,18-24H2.
What are the key properties of 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 569.73 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 143725207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).