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

C13H13N3O — CID 799634

IUPAC1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone
SMILESCC(=O)c1c(C)nc2n(C)c3ccccc3n12
InChIInChI=1S/C13H13N3O/c1-8-12(9(2)17)16-11-7-5-4-6-10(11)15(3)13(16)14-8/h4-7H,1-3H3
InChIKeySGMMPTPILSUWAH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.34
Rot. Bonds1

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

1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone (PubChem CID 799634) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone
PubChem CID799634
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone
SMILESCC(=O)c1c(C)nc2n(C)c3ccccc3n12
InChIInChI=1S/C13H13N3O/c1-8-12(9(2)17)16-11-7-5-4-6-10(11)15(3)13(16)14-8/h4-7H,1-3H3
InChIKeySGMMPTPILSUWAH-UHFFFAOYSA-N
XLogP2.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
N,N,1-trimethylbenzimidazole-2-carboxamide
CID 44590949
1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 975895
Methyl 2-methyl-9-propyl-9H-imidazo[1,2-A][1,3]benzimidazole-3-carboxylate
CID 761903
Methyl 2,9-dimethyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylate
CID 799344
1-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-one
CID 9115244
2-Butanone, 4-(1H-benzimidazol-1-yl)-
CID 13267877
Lansoprazole thioxo impurity
CID 71111001
1-Methyl-1H-imidazo(1,2-a)benzimidazol-2(3H)-one
CID 645809
1-propionyl-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 791786
1-{9-[2-(diethylamino)ethyl]-2-methyl-9H-imidazo[1,2-a]benzimidazol-3-yl}ethanone
CID 3907670
[4-[2-(Diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164619621

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone (CID 799634) is 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone is CC(=O)c1c(C)nc2n(C)c3ccccc3n12.
What is the InChIKey of 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
The InChIKey is SGMMPTPILSUWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-12(9(2)17)16-11-7-5-4-6-10(11)15(3)13(16)14-8/h4-7H,1-3H3.
What are the key properties of 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone?
1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone has a molecular weight of 227.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylimidazo[1,2-a]benzimidazol-1-yl)ethanone is sourced from PubChem (CID 799634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).