1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone

C11H9N3O — CID 84668770

IUPAC1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone
SMILESCC(=O)c1cn2c(nc3ccccc32)[nH]1
InChIInChI=1S/C11H9N3O/c1-7(15)9-6-14-10-5-3-2-4-8(10)12-11(14)13-9/h2-6H,1H3,(H,12,13)
InChIKeyQMLPRBHKAYXHPY-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.02
Rot. Bonds1

About 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone

1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone (PubChem CID 84668770) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone
PubChem CID84668770
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone
SMILESCC(=O)c1cn2c(nc3ccccc32)[nH]1
InChIInChI=1S/C11H9N3O/c1-7(15)9-6-14-10-5-3-2-4-8(10)12-11(14)13-9/h2-6H,1H3,(H,12,13)
InChIKeyQMLPRBHKAYXHPY-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-imidazo[1,2-a]benzimidazol-2-ylmethanol
CID 84660991
2-phenyl-3H-imidazo[1,2-a]benzimidazole
CID 854077
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
CID 19256624
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787
2-(1,3-benzothiazol-2-yl)-2-(3H-imidazo[1,2-a]benzimidazol-2-yl)acetonitrile
CID 71732792
(2S)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoate
CID 2060293
1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
CID 19256617
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217

Frequently Asked Questions

What is the IUPAC name of 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone (CID 84668770) is 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone is CC(=O)c1cn2c(nc3ccccc32)[nH]1.
What is the InChIKey of 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone?
The InChIKey is QMLPRBHKAYXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7(15)9-6-14-10-5-3-2-4-8(10)12-11(14)13-9/h2-6H,1H3,(H,12,13).
What are the key properties of 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone?
1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone has a molecular weight of 199.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-imidazo[1,2-a]benzimidazol-2-yl)ethanone is sourced from PubChem (CID 84668770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).