2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone

C15H14N2O2S2 — CID 2859236

IUPAC2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C
InChIInChI=1S/C15H14N2O2S2/c1-17-12-6-5-10(19-2)8-11(12)16-15(17)21-9-13(18)14-4-3-7-20-14/h3-8H,9H2,1-2H3
InChIKeyPTJGQPXQMWCMOM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.62
Rot. Bonds5

About 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone

2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone (PubChem CID 2859236) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
PubChem CID2859236
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C
InChIInChI=1S/C15H14N2O2S2/c1-17-12-6-5-10(19-2)8-11(12)16-15(17)21-9-13(18)14-4-3-7-20-14/h3-8H,9H2,1-2H3
InChIKeyPTJGQPXQMWCMOM-UHFFFAOYSA-N
XLogP3.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone (CID 2859236) is 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone is COc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C.
What is the InChIKey of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is PTJGQPXQMWCMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-17-12-6-5-10(19-2)8-11(12)16-15(17)21-9-13(18)14-4-3-7-20-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 318.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 2859236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).