1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone

C17H16N2O3 — CID 84564209

IUPAC1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)n2cnc3ccccc32)c(OC)c1
InChIInChI=1S/C17H16N2O3/c1-21-13-8-7-12(16(10-13)22-2)9-17(20)19-11-18-14-5-3-4-6-15(14)19/h3-8,10-11H,9H2,1-2H3
InChIKeyGFIGRPXPAVOKFG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.94
Rot. Bonds4

About 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone

1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone (PubChem CID 84564209) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
PubChem CID84564209
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)n2cnc3ccccc32)c(OC)c1
InChIInChI=1S/C17H16N2O3/c1-21-13-8-7-12(16(10-13)22-2)9-17(20)19-11-18-14-5-3-4-6-15(14)19/h3-8,10-11H,9H2,1-2H3
InChIKeyGFIGRPXPAVOKFG-UHFFFAOYSA-N
XLogP2.94
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
CID 22200837
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone
CID 110468877
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111879057
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23967505
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone (CID 84564209) is 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)n2cnc3ccccc32)c(OC)c1.
What is the InChIKey of 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is GFIGRPXPAVOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-13-8-7-12(16(10-13)22-2)9-17(20)19-11-18-14-5-3-4-6-15(14)19/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 296.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84564209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).