4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole

C13H13N3 — CID 15133591

IUPAC4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole
SMILESC=Cn1c2ccccc2n2c(C)c(C)nc12
InChIInChI=1S/C13H13N3/c1-4-15-11-7-5-6-8-12(11)16-10(3)9(2)14-13(15)16/h4-8H,1H2,2-3H3
InChIKeyYCXZCKBYMYRORS-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.01
Rot. Bonds1

About 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole

4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole (PubChem CID 15133591) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole
PubChem CID15133591
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole
SMILESC=Cn1c2ccccc2n2c(C)c(C)nc12
InChIInChI=1S/C13H13N3/c1-4-15-11-7-5-6-8-12(11)16-10(3)9(2)14-13(15)16/h4-8H,1H2,2-3H3
InChIKeyYCXZCKBYMYRORS-UHFFFAOYSA-N
XLogP3.01
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole 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-ethenyl-2,4-dimethylimidazo[1,2-a]benzimidazole
CID 134484836
1,2-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 70385132
9-ethenylcarbazole;dihydrochloride
CID 90094696
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
1-ethenyl-2-ethyl-4,5-dimethylimidazole
CID 163363596
ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole
CID 153331338
2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole
CID 145386235
(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
CID 23116964
2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole
CID 145385885
1-ethenyl-3-methylbenzotriazol-3-ium
CID 3632348
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazole
CID 134457642

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole (CID 15133591) is 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole is C=Cn1c2ccccc2n2c(C)c(C)nc12.
What is the InChIKey of 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole?
The InChIKey is YCXZCKBYMYRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-4-15-11-7-5-6-8-12(11)16-10(3)9(2)14-13(15)16/h4-8H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole?
4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole has a molecular weight of 211.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2-dimethylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 15133591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).