3-methyl-7,7a-dihydro-1H-benzimidazol-2-one

C8H10N2O — CID 21102007

IUPAC3-methyl-7,7a-dihydro-1H-benzimidazol-2-one
SMILESCN1C(=O)NC2CC=CC=C21
InChIInChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyJAGDJQDVICSTOU-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.85
Rot. Bonds

About 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one

3-methyl-7,7a-dihydro-1H-benzimidazol-2-one (PubChem CID 21102007) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-7,7a-dihydro-1H-benzimidazol-2-one
PubChem CID21102007
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-methyl-7,7a-dihydro-1H-benzimidazol-2-one
SMILESCN1C(=O)NC2CC=CC=C21
InChIInChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyJAGDJQDVICSTOU-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one 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

Tetrahydrobenzimidazole
CID 19001503
Tetrahydrobenzimidazolone
CID 19852999
2-Methyltetrahydrobenzimidazole
CID 69589220
Dihydro-(1-methyl)ethyl-2-oxo-1h-benzimidazole-1-carboxamide
CID 129715873
Tetrahydropyrrolo[1,2-c]quinazolin-5(6h)-one
CID 132278792
3-methyl-3a,4-dihydro-1H-benzimidazol-2-one
CID 19853018
1,3,3a,7a-Tetrahydrobenzimidazol-2-one
CID 23292288
1,3-Dimethyl-3a,4-dihydrobenzimidazol-2-one
CID 23382278
3-methyl-3a,7a-dihydro-1H-benzimidazol-2-one
CID 53406300
2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 58724333
3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one
CID 67763170
3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile
CID 67912590

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one (CID 21102007) is 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one is CN1C(=O)NC2CC=CC=C21.
What is the InChIKey of 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one?
The InChIKey is JAGDJQDVICSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-3,5-6H,4H2,1H3,(H,9,11).
What are the key properties of 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one?
3-methyl-7,7a-dihydro-1H-benzimidazol-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,7a-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 21102007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).