2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole

C8H12N2 — CID 142909919

IUPAC2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole
SMILESCC1=NC2CCCC=C2N1
InChIInChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h4,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyPLSZPWFIHURWTI-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.44
Rot. Bonds

About 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole

2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole (PubChem CID 142909919) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole
PubChem CID142909919
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole
SMILESCC1=NC2CCCC=C2N1
InChIInChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h4,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyPLSZPWFIHURWTI-UHFFFAOYSA-N
XLogP1.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3a,4,5,6-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-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole (CID 142909919) is 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole is CC1=NC2CCCC=C2N1.
What is the InChIKey of 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole?
The InChIKey is PLSZPWFIHURWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h4,8H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole?
2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3a,4,5,6-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 142909919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).