1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone

C19H17N3O — CID 771758

IUPAC1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone
SMILESCC(=O)c1c(C)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C19H17N3O/c1-13-18(14(2)23)22-17-11-7-6-10-16(17)21(19(22)20-13)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyKLKOIOYRDCLXOQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone

1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone (PubChem CID 771758) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone
PubChem CID771758
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone
SMILESCC(=O)c1c(C)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C19H17N3O/c1-13-18(14(2)23)22-17-11-7-6-10-16(17)21(19(22)20-13)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyKLKOIOYRDCLXOQ-UHFFFAOYSA-N
XLogP3.85
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenethyl-1H-1,3-benzimidazol-2-yl)-1-ethanone
CID 3748671
(1-methyl-1H-benzimidazol-2-yl)(phenyl)methanone
CID 677925
2-(2-Methylbenzimidazol-1-yl)-1-phenylethanone
CID 417677
1-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethanone
CID 4881725
2-[2-(Hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 4882612
1-[1-Methyl-5-(1-methylbenzimidazol-2-yl)pyrrol-3-yl]ethanone
CID 976892
1-benzyl-4-(1-ethyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
CID 4754173
1-benzyl-4-(1-(2-methylallyl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-2-one
CID 4754187
1-[[1-(3-Methylbutyl)benzimidazol-2-yl]methyl]indole-2,3-dione
CID 10337747
1,2-dimethyl-3-(2-oxo-2-phenylethyl)-1H-benzo[d]imidazol-3-ium bromide
CID 16239771
2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-propyl-amide
CID 20780124
2-Ethyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-propyl-amide
CID 20780125

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone (CID 771758) is 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone is CC(=O)c1c(C)nc2n(Cc3ccccc3)c3ccccc3n12.
What is the InChIKey of 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
The InChIKey is KLKOIOYRDCLXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-18(14(2)23)22-17-11-7-6-10-16(17)21(19(22)20-13)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone has a molecular weight of 303.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)ethanone is sourced from PubChem (CID 771758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).