2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide

C15H14BrN3OS — CID 15945769

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCN2c2ccccc21)c1cccs1
InChIInChI=1S/C15H13N3OS.BrH/c19-13(14-6-3-9-20-14)10-18-12-5-2-1-4-11(12)17-8-7-16-15(17)18;/h1-6,9H,7-8,10H2;1H
InChIKeyFWIHXSQTDLGHFF-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.20
Rot. Bonds3

About 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide (PubChem CID 15945769) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide
PubChem CID15945769
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCN2c2ccccc21)c1cccs1
InChIInChI=1S/C15H13N3OS.BrH/c19-13(14-6-3-9-20-14)10-18-12-5-2-1-4-11(12)17-8-7-16-15(17)18;/h1-6,9H,7-8,10H2;1H
InChIKeyFWIHXSQTDLGHFF-UHFFFAOYSA-N
XLogP3.20
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide (CID 15945769) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide is Br.O=C(CN1C2=NCCN2c2ccccc21)c1cccs1.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide?
The InChIKey is FWIHXSQTDLGHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS.BrH/c19-13(14-6-3-9-20-14)10-18-12-5-2-1-4-11(12)17-8-7-16-15(17)18;/h1-6,9H,7-8,10H2;1H.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide has a molecular weight of 364.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-thiophen-2-ylethanone;hydrobromide is sourced from PubChem (CID 15945769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).