3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one

C18H15ClN2O2S — CID 4884388

IUPAC3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c19-13-6-7-15-14(10-13)20-18(24-16-8-9-23-17(16)22)21(15)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyRLWJVMPRIWVGGZ-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.15
Rot. Bonds4

About 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one

3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one (PubChem CID 4884388) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one
PubChem CID4884388
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c19-13-6-7-15-14(10-13)20-18(24-16-8-9-23-17(16)22)21(15)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyRLWJVMPRIWVGGZ-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one?
The IUPAC name of 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one (CID 4884388) is 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one is O=C1OCCC1Sc1nc2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one?
The InChIKey is RLWJVMPRIWVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c19-13-6-7-15-14(10-13)20-18(24-16-8-9-23-17(16)22)21(15)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2.
What are the key properties of 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one?
3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one has a molecular weight of 358.85 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 4884388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).