3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one

C17H14N2O2S — CID 2999913

IUPAC3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c20-16-15(10-11-21-16)22-17-18-13-8-4-5-9-14(13)19(17)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyQWIUSZJTTPRTFQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.43
Rot. Bonds3

About 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one

3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one (PubChem CID 2999913) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one
PubChem CID2999913
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c20-16-15(10-11-21-16)22-17-18-13-8-4-5-9-14(13)19(17)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyQWIUSZJTTPRTFQ-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one?
The IUPAC name of 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one (CID 2999913) is 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one is O=C1OCCC1Sc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one?
The InChIKey is QWIUSZJTTPRTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-16-15(10-11-21-16)22-17-18-13-8-4-5-9-14(13)19(17)12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one?
3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one has a molecular weight of 310.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-2-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 2999913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).