6-ethoxy-1-ethylbenzimidazole

C11H14N2O — CID 54758751

IUPAC6-ethoxy-1-ethylbenzimidazole
SMILESCCOc1ccc2ncn(CC)c2c1
InChIInChI=1S/C11H14N2O/c1-3-13-8-12-10-6-5-9(14-4-2)7-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyJPBWAIFVLOIJSZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.45
Rot. Bonds3

About 6-ethoxy-1-ethylbenzimidazole

6-ethoxy-1-ethylbenzimidazole (PubChem CID 54758751) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-ethoxy-1-ethylbenzimidazole.

Molecular Properties

Compound Name6-ethoxy-1-ethylbenzimidazole
PubChem CID54758751
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-ethoxy-1-ethylbenzimidazole
SMILESCCOc1ccc2ncn(CC)c2c1
InChIInChI=1S/C11H14N2O/c1-3-13-8-12-10-6-5-9(14-4-2)7-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyJPBWAIFVLOIJSZ-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethoxy-1-ethylbenzimidazole 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

6-ethoxy-1-(piperidin-1-ylmethyl)benzimidazole
CID 95909409
(3-ethylbenzimidazol-5-yl)boronic acid
CID 130053676
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole
CID 141111290
N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
CID 134294678
6-ethoxy-7-(3-ethylbenzimidazol-5-yl)-9H-purin-8-one
CID 126504412
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
3-ethyl-6-methoxybenzimidazol-5-amine
CID 91671629
6-methyl-1-propylbenzimidazole
CID 122608641
1-ethyl-5-isocyanobenzimidazole
CID 140845990
3-propylbenzimidazol-5-amine
CID 18379870

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-ethylbenzimidazole?
The IUPAC name of 6-ethoxy-1-ethylbenzimidazole (CID 54758751) is 6-ethoxy-1-ethylbenzimidazole.
What is the SMILES notation for 6-ethoxy-1-ethylbenzimidazole?
The canonical SMILES for 6-ethoxy-1-ethylbenzimidazole is CCOc1ccc2ncn(CC)c2c1.
What is the InChIKey of 6-ethoxy-1-ethylbenzimidazole?
The InChIKey is JPBWAIFVLOIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-13-8-12-10-6-5-9(14-4-2)7-11(10)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-ethoxy-1-ethylbenzimidazole?
6-ethoxy-1-ethylbenzimidazole has a molecular weight of 190.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-ethylbenzimidazole is sourced from PubChem (CID 54758751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).