2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide

C16H17BrN2O2S2 — CID 11948873

IUPAC2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.CCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C
InChIInChI=1S/C16H16N2O2S2.BrH/c1-3-20-11-6-7-13-12(9-11)17-16(18(13)2)22-10-14(19)15-5-4-8-21-15;/h4-9H,3,10H2,1-2H3;1H
InChIKeyIFAYYUAULDSPIR-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.59
Rot. Bonds6

About 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide

2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide (PubChem CID 11948873) has the molecular formula C16H17BrN2O2S2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide
PubChem CID11948873
Molecular FormulaC16H17BrN2O2S2
Molecular Weight413.36 g/mol
Exact Mass411.99
IUPAC Name2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.CCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C
InChIInChI=1S/C16H16N2O2S2.BrH/c1-3-20-11-6-7-13-12(9-11)17-16(18(13)2)22-10-14(19)15-5-4-8-21-15;/h4-9H,3,10H2,1-2H3;1H
InChIKeyIFAYYUAULDSPIR-UHFFFAOYSA-N
XLogP4.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide?
The IUPAC name of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide (CID 11948873) is 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide?
The canonical SMILES for 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide is Br.CCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C.
What is the InChIKey of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide?
The InChIKey is IFAYYUAULDSPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2.BrH/c1-3-20-11-6-7-13-12(9-11)17-16(18(13)2)22-10-14(19)15-5-4-8-21-15;/h4-9H,3,10H2,1-2H3;1H.
What are the key properties of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide?
2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide has a molecular weight of 413.36 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone;hydrobromide is sourced from PubChem (CID 11948873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).