1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide

C15H13Br2N3OS — CID 15945733

IUPAC1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)s1
InChIInChI=1S/C15H12BrN3OS.BrH/c16-14-6-5-13(21-14)12(20)9-19-11-4-2-1-3-10(11)18-8-7-17-15(18)19;/h1-6H,7-9H2;1H
InChIKeyXBZRHIAGWRFKPI-UHFFFAOYSA-N
MW443.16 g/mol
LogP3.97
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide

1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide (PubChem CID 15945733) has the molecular formula C15H13Br2N3OS and a molecular weight of 443.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide
PubChem CID15945733
Molecular FormulaC15H13Br2N3OS
Molecular Weight443.16 g/mol
Exact Mass440.91
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)s1
InChIInChI=1S/C15H12BrN3OS.BrH/c16-14-6-5-13(21-14)12(20)9-19-11-4-2-1-3-10(11)18-8-7-17-15(18)19;/h1-6H,7-9H2;1H
InChIKeyXBZRHIAGWRFKPI-UHFFFAOYSA-N
XLogP3.97
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide (CID 15945733) is 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide is Br.O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
The InChIKey is XBZRHIAGWRFKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS.BrH/c16-14-6-5-13(21-14)12(20)9-19-11-4-2-1-3-10(11)18-8-7-17-15(18)19;/h1-6H,7-9H2;1H.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide has a molecular weight of 443.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide is sourced from PubChem (CID 15945733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).