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

C17H14BrN3O — CID 646191

IUPAC1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone
SMILESO=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/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
InChIKeyGCIPCQNZRKQFJN-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.33
Rot. Bonds3

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

1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone (PubChem CID 646191) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone
PubChem CID646191
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone
SMILESO=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/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
InChIKeyGCIPCQNZRKQFJN-UHFFFAOYSA-N
XLogP3.33
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 594995
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CID 2859255
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CID 2853753
CID 2853753
CID 17754836
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CID 2849640
CID 2849640
CID 6603329
CID 6603329
CID 90670824
CID 90670824
CID 49830847
CID 49830847
CID 1340477
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CID 2851497
CID 2851497

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone (CID 646191) is 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone is 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?
The InChIKey is GCIPCQNZRKQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/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.
What are the key properties of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone?
1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanone has a molecular weight of 356.22 g/mol, XLogP of 3.33, 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 is sourced from PubChem (CID 646191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).