2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole

C9H14N2 — CID 18997932

IUPAC2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C9H14N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h2-6H2,1H3,(H,10,11)
InChIKeyJETMQUGZACCGIJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.85
Rot. Bonds1

About 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole

2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 18997932) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID18997932
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C9H14N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h2-6H2,1H3,(H,10,11)
InChIKeyJETMQUGZACCGIJ-UHFFFAOYSA-N
XLogP1.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-4,5,6,7-tetrahydro-1H-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 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 18997932) is 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole is CCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is JETMQUGZACCGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole?
2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 150.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 18997932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).