(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one

C20H18N2O2S — CID 41083030

IUPAC(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one
SMILESC[C@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1
InChIInChI=1S/C20H18N2O2S/c1-13-12-16(19(23)24-13)25-20-21-17(14-8-4-2-5-9-14)18(22-20)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)/t13-,16-/m0/s1
InChIKeyOWNGVZAFGPRPBY-BBRMVZONSA-N
MW350.44 g/mol
LogP4.54
Rot. Bonds4

About (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one

(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one (PubChem CID 41083030) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one
PubChem CID41083030
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one
SMILESC[C@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1
InChIInChI=1S/C20H18N2O2S/c1-13-12-16(19(23)24-13)25-20-21-17(14-8-4-2-5-9-14)18(22-20)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)/t13-,16-/m0/s1
InChIKeyOWNGVZAFGPRPBY-BBRMVZONSA-N
XLogP4.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 9451345
(3S,5R)-5-methyl-3-(4-phenylphthalazin-1-yl)sulfanyloxolan-2-one
CID 41321095
(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 40973258
5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 136675127
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 67920634
2-(oxiran-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 102517221
3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one
CID 10360834
2-(5-methyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole
CID 67917501
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentane-2,4-dione
CID 13238082
(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4,4-dimethylpiperidin-2-one
CID 57088559
(3S)-3-[(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one
CID 136675126
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one?
The IUPAC name of (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one (CID 41083030) is (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one.
What is the SMILES notation for (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one?
The canonical SMILES for (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one is C[C@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1.
What is the InChIKey of (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one?
The InChIKey is OWNGVZAFGPRPBY-BBRMVZONSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-12-16(19(23)24-13)25-20-21-17(14-8-4-2-5-9-14)18(22-20)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)/t13-,16-/m0/s1.
What are the key properties of (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one?
(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one has a molecular weight of 350.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one is sourced from PubChem (CID 41083030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).