4-ethenyl-2,2-dimethylbenzimidazole

C11H12N2 — CID 20537676

IUPAC4-ethenyl-2,2-dimethylbenzimidazole
SMILESC=Cc1cccc2c1=NC(C)(C)N=2
InChIInChI=1S/C11H12N2/c1-4-8-6-5-7-9-10(8)13-11(2,3)12-9/h4-7H,1H2,2-3H3
InChIKeyNDWREMQQKBXOCP-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.32
Rot. Bonds1

About 4-ethenyl-2,2-dimethylbenzimidazole

4-ethenyl-2,2-dimethylbenzimidazole (PubChem CID 20537676) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethylbenzimidazole.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethylbenzimidazole
PubChem CID20537676
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-ethenyl-2,2-dimethylbenzimidazole
SMILESC=Cc1cccc2c1=NC(C)(C)N=2
InChIInChI=1S/C11H12N2/c1-4-8-6-5-7-9-10(8)13-11(2,3)12-9/h4-7H,1H2,2-3H3
InChIKeyNDWREMQQKBXOCP-UHFFFAOYSA-N
XLogP1.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethenyl-2,2-dimethylbenzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethylbenzimidazole?
The IUPAC name of 4-ethenyl-2,2-dimethylbenzimidazole (CID 20537676) is 4-ethenyl-2,2-dimethylbenzimidazole.
What is the SMILES notation for 4-ethenyl-2,2-dimethylbenzimidazole?
The canonical SMILES for 4-ethenyl-2,2-dimethylbenzimidazole is C=Cc1cccc2c1=NC(C)(C)N=2.
What is the InChIKey of 4-ethenyl-2,2-dimethylbenzimidazole?
The InChIKey is NDWREMQQKBXOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-4-8-6-5-7-9-10(8)13-11(2,3)12-9/h4-7H,1H2,2-3H3.
What are the key properties of 4-ethenyl-2,2-dimethylbenzimidazole?
4-ethenyl-2,2-dimethylbenzimidazole has a molecular weight of 172.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethylbenzimidazole is sourced from PubChem (CID 20537676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).