6-methyl-3a,7a-dihydro-1H-benzimidazole

C8H10N2 — CID 70333893

IUPAC6-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC2NC=NC2C=C1
InChIInChI=1S/C8H10N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5,7-8H,1H3,(H,9,10)
InChIKeyQRYSUHQAMMHNTG-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 6-methyl-3a,7a-dihydro-1H-benzimidazole

6-methyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 70333893) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-methyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID70333893
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name6-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC2NC=NC2C=C1
InChIInChI=1S/C8H10N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5,7-8H,1H3,(H,9,10)
InChIKeyQRYSUHQAMMHNTG-UHFFFAOYSA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-3a,7a-dihydro-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 6-methyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 6-methyl-3a,7a-dihydro-1H-benzimidazole (CID 70333893) is 6-methyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-methyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 6-methyl-3a,7a-dihydro-1H-benzimidazole is CC1=CC2NC=NC2C=C1.
What is the InChIKey of 6-methyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is QRYSUHQAMMHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5,7-8H,1H3,(H,9,10).
What are the key properties of 6-methyl-3a,7a-dihydro-1H-benzimidazole?
6-methyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 70333893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).