4-ethyl-7-propyl-2H-benzimidazole

C12H16N2 — CID 90273567

IUPAC4-ethyl-7-propyl-2H-benzimidazole
SMILESCCCc1ccc(CC)c2c1=NCN=2
InChIInChI=1S/C12H16N2/c1-3-5-10-7-6-9(4-2)11-12(10)14-8-13-11/h6-7H,3-5,8H2,1-2H3
InChIKeyMTWOSGKWNSTTFH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.41
Rot. Bonds3

About 4-ethyl-7-propyl-2H-benzimidazole

4-ethyl-7-propyl-2H-benzimidazole (PubChem CID 90273567) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-ethyl-7-propyl-2H-benzimidazole.

Molecular Properties

Compound Name4-ethyl-7-propyl-2H-benzimidazole
PubChem CID90273567
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-ethyl-7-propyl-2H-benzimidazole
SMILESCCCc1ccc(CC)c2c1=NCN=2
InChIInChI=1S/C12H16N2/c1-3-5-10-7-6-9(4-2)11-12(10)14-8-13-11/h6-7H,3-5,8H2,1-2H3
InChIKeyMTWOSGKWNSTTFH-UHFFFAOYSA-N
XLogP1.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-7-propyl-2H-benzimidazole 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-ethyl-7-propyl-2H-benzimidazole?
The IUPAC name of 4-ethyl-7-propyl-2H-benzimidazole (CID 90273567) is 4-ethyl-7-propyl-2H-benzimidazole.
What is the SMILES notation for 4-ethyl-7-propyl-2H-benzimidazole?
The canonical SMILES for 4-ethyl-7-propyl-2H-benzimidazole is CCCc1ccc(CC)c2c1=NCN=2.
What is the InChIKey of 4-ethyl-7-propyl-2H-benzimidazole?
The InChIKey is MTWOSGKWNSTTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-5-10-7-6-9(4-2)11-12(10)14-8-13-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 4-ethyl-7-propyl-2H-benzimidazole?
4-ethyl-7-propyl-2H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-propyl-2H-benzimidazole is sourced from PubChem (CID 90273567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).