(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one

C18H16N2O3S — CID 7041360

IUPAC(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one
SMILESCOc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc32)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-8-6-12(7-9-13)20-15-5-3-2-4-14(15)19-18(20)24-16-10-11-23-17(16)21/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyFAIZAGVFKFRNMX-INIZCTEOSA-N
MW340.40 g/mol
LogP3.44
Rot. Bonds4

About (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one

(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one (PubChem CID 7041360) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one
PubChem CID7041360
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one
SMILESCOc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc32)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-8-6-12(7-9-13)20-15-5-3-2-4-14(15)19-18(20)24-16-10-11-23-17(16)21/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyFAIZAGVFKFRNMX-INIZCTEOSA-N
XLogP3.44
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 3491678
(3R)-3-(1-benzylbenzimidazol-2-yl)sulfanyloxolan-2-one
CID 975976
(3S)-3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2520788
(3S)-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 7812958
3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1332861
3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 17425100
(3R)-3-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 7278268
(3S)-3-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 7149694
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4845825
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 4881241
N,N-diethyl-1-(2-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide
CID 41216797

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one?
The IUPAC name of (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one (CID 7041360) is (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one.
What is the SMILES notation for (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one?
The canonical SMILES for (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one is COc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc32)cc1.
What is the InChIKey of (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one?
The InChIKey is FAIZAGVFKFRNMX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-8-6-12(7-9-13)20-15-5-3-2-4-14(15)19-18(20)24-16-10-11-23-17(16)21/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one?
(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one is sourced from PubChem (CID 7041360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).