2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone

C17H16N2O2S — CID 570087

IUPAC2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
SMILESCOc1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2C
InChIInChI=1S/C17H16N2O2S/c1-19-15-9-8-13(21-2)10-14(15)18-17(19)22-11-16(20)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyGBLIMXOJGGWMEW-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.56
Rot. Bonds5

About 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone

2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone (PubChem CID 570087) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
PubChem CID570087
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
SMILESCOc1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2C
InChIInChI=1S/C17H16N2O2S/c1-19-15-9-8-13(21-2)10-14(15)18-17(19)22-11-16(20)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyGBLIMXOJGGWMEW-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone (CID 570087) is 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone is COc1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2C.
What is the InChIKey of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone?
The InChIKey is GBLIMXOJGGWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-19-15-9-8-13(21-2)10-14(15)18-17(19)22-11-16(20)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone?
2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone has a molecular weight of 312.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 570087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).