1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one

C18H23N3O2S — CID 8562674

IUPAC1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)CN=C2SCC(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-6-8-15(9-7-13)21-16(22)11-19-18(21)24-12-17(23)20-10-4-3-5-14(20)2/h6-9,14H,3-5,10-12H2,1-2H3/t14-/m0/s1
InChIKeyUBDDSOHVBJCXSP-AWEZNQCLSA-N
MW345.47 g/mol
LogP2.83
Rot. Bonds3

About 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one

1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one (PubChem CID 8562674) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
PubChem CID8562674
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)CN=C2SCC(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-6-8-15(9-7-13)21-16(22)11-19-18(21)24-12-17(23)20-10-4-3-5-14(20)2/h6-9,14H,3-5,10-12H2,1-2H3/t14-/m0/s1
InChIKeyUBDDSOHVBJCXSP-AWEZNQCLSA-N
XLogP2.83
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-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

(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8562723
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylimidazol-4-one
CID 2609523
3-(4-methylphenyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 2085188
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 112786259
1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one
CID 8638042
3-(4-methylphenyl)-5-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 136896290
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2087301
(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8562439
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1157559
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 42486651
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 31571993
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300479

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one?
The IUPAC name of 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one (CID 8562674) is 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one is Cc1ccc(N2C(=O)CN=C2SCC(=O)N2CCCC[C@@H]2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one?
The InChIKey is UBDDSOHVBJCXSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-6-8-15(9-7-13)21-16(22)11-19-18(21)24-12-17(23)20-10-4-3-5-14(20)2/h6-9,14H,3-5,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one?
1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one has a molecular weight of 345.47 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 8562674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).