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

C8H10N2 — CID 23396723

IUPAC2-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=NC2C=CC=CC2N1
InChIInChI=1S/C8H10N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5,7-8H,1H3,(H,9,10)
InChIKeyDWAUCDCPMRFFKX-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 2-methyl-3a,7a-dihydro-1H-benzimidazole

2-methyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 23396723) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID23396723
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=NC2C=CC=CC2N1
InChIInChI=1S/C8H10N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5,7-8H,1H3,(H,9,10)
InChIKeyDWAUCDCPMRFFKX-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 2-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

Related Compounds

(1S)-1-(6-fluoro-3a,7a-dihydro-1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 71027331
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
2-[(E)-pent-1-enyl]-4,5-dihydro-1H-imidazole
CID 21608209
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
6-(difluoromethyl)-2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3a,7a-dihydro-1H-benzimidazole
CID 144415060
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
3a,7a-dihydro-1H-benzimidazole
CID 15762978
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 2-methyl-3a,7a-dihydro-1H-benzimidazole (CID 23396723) is 2-methyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-methyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 2-methyl-3a,7a-dihydro-1H-benzimidazole is CC1=NC2C=CC=CC2N1.
What is the InChIKey of 2-methyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is DWAUCDCPMRFFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5,7-8H,1H3,(H,9,10).
What are the key properties of 2-methyl-3a,7a-dihydro-1H-benzimidazole?
2-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 2-methyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 23396723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).