1-methyl-4,5,6,7-tetrahydrobenzimidazole

C8H12N2 — CID 10866391

IUPAC1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1cnc2c1CCCC2
InChIInChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h6H,2-5H2,1H3
InChIKeyOBEFWOVHXQTYJK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.30
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydrobenzimidazole

1-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 10866391) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID10866391
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1cnc2c1CCCC2
InChIInChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h6H,2-5H2,1H3
InChIKeyOBEFWOVHXQTYJK-UHFFFAOYSA-N
XLogP1.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4,5,6,7-tetrahydrobenzimidazole 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 1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 10866391) is 1-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydrobenzimidazole is Cn1cnc2c1CCCC2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is OBEFWOVHXQTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 10866391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).