3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole

C8H14N2 — CID 59689202

IUPAC3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole
SMILESCN1CNC2=C1CCCC2
InChIInChI=1S/C8H14N2/c1-10-6-9-7-4-2-3-5-8(7)10/h9H,2-6H2,1H3
InChIKeyJUBFGOFMAUXWDP-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.26
Rot. Bonds

About 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole

3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole (PubChem CID 59689202) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole
PubChem CID59689202
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole
SMILESCN1CNC2=C1CCCC2
InChIInChI=1S/C8H14N2/c1-10-6-9-7-4-2-3-5-8(7)10/h9H,2-6H2,1H3
InChIKeyJUBFGOFMAUXWDP-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole 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 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole?
The IUPAC name of 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole (CID 59689202) is 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole.
What is the SMILES notation for 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole?
The canonical SMILES for 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole is CN1CNC2=C1CCCC2.
What is the InChIKey of 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole?
The InChIKey is JUBFGOFMAUXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-6-9-7-4-2-3-5-8(7)10/h9H,2-6H2,1H3.
What are the key properties of 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole?
3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole is sourced from PubChem (CID 59689202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).