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

C17H17BrN2O2S — CID 2858691

IUPAC2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide
SMILESBr.COc1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2C
InChIInChI=1S/C17H16N2O2S.BrH/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;1H
InChIKeyZFIBQHPSNGQBBW-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.13
Rot. Bonds5

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

2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide (PubChem CID 2858691) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide
PubChem CID2858691
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide
SMILESBr.COc1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2C
InChIInChI=1S/C17H16N2O2S.BrH/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;1H
InChIKeyZFIBQHPSNGQBBW-UHFFFAOYSA-N
XLogP4.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.13
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;hydrobromide?
The IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide (CID 2858691) is 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide is Br.COc1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2C.
What is the InChIKey of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide?
The InChIKey is ZFIBQHPSNGQBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S.BrH/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;1H.
What are the key properties of 2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide?
2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-phenylethanone;hydrobromide has a molecular weight of 393.31 g/mol, XLogP of 4.13, 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;hydrobromide is sourced from PubChem (CID 2858691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).