2,2-diethylbenzimidazole

C11H14N2 — CID 20537791

IUPAC2,2-diethylbenzimidazole
SMILESCCC1(CC)N=c2ccccc2=N1
InChIInChI=1S/C11H14N2/c1-3-11(4-2)12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3
InChIKeyJCPIAWMKMQCGTC-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.46
Rot. Bonds2

About 2,2-diethylbenzimidazole

2,2-diethylbenzimidazole (PubChem CID 20537791) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,2-diethylbenzimidazole.

Molecular Properties

Compound Name2,2-diethylbenzimidazole
PubChem CID20537791
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,2-diethylbenzimidazole
SMILESCCC1(CC)N=c2ccccc2=N1
InChIInChI=1S/C11H14N2/c1-3-11(4-2)12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3
InChIKeyJCPIAWMKMQCGTC-UHFFFAOYSA-N
XLogP1.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-diethylbenzimidazole 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 2,2-diethylbenzimidazole?
The IUPAC name of 2,2-diethylbenzimidazole (CID 20537791) is 2,2-diethylbenzimidazole.
What is the SMILES notation for 2,2-diethylbenzimidazole?
The canonical SMILES for 2,2-diethylbenzimidazole is CCC1(CC)N=c2ccccc2=N1.
What is the InChIKey of 2,2-diethylbenzimidazole?
The InChIKey is JCPIAWMKMQCGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-11(4-2)12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,2-diethylbenzimidazole?
2,2-diethylbenzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylbenzimidazole is sourced from PubChem (CID 20537791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).