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

C17H15Br2N3O — CID 6603329

IUPAC1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O.BrH/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21;/h1-8H,9-11H2;1H
InChIKeyPFQJYBRTHOCHNW-UHFFFAOYSA-N
MW437.14 g/mol
LogP3.91
Rot. Bonds3

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

1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide (PubChem CID 6603329) has the molecular formula C17H15Br2N3O and a molecular weight of 437.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide
PubChem CID6603329
Molecular FormulaC17H15Br2N3O
Molecular Weight437.14 g/mol
Exact Mass434.96
IUPAC Name1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O.BrH/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21;/h1-8H,9-11H2;1H
InChIKeyPFQJYBRTHOCHNW-UHFFFAOYSA-N
XLogP3.91
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.14
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide (CID 6603329) is 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide is Br.O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
The InChIKey is PFQJYBRTHOCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O.BrH/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21;/h1-8H,9-11H2;1H.
What are the key properties of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide?
1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide has a molecular weight of 437.14 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone;hydrobromide is sourced from PubChem (CID 6603329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).