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

C8H10N2S — CID 88944199

IUPAC3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione
SMILESCN1C(=S)NC2CC=CC=C21
InChIInChI=1S/C8H10N2S/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyUDVHBQALTNUVHM-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.02
Rot. Bonds

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

3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione (PubChem CID 88944199) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione
PubChem CID88944199
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione
SMILESCN1C(=S)NC2CC=CC=C21
InChIInChI=1S/C8H10N2S/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyUDVHBQALTNUVHM-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Tetrahydrobenzimidazole
CID 19001503
2-Methyltetrahydrobenzimidazole
CID 69589220
3-Methyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479327
1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966797
1-butyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24967147
1,3,3a,7a-Tetrahydrobenzimidazole-2-thione
CID 54012176
4-(4-Aminobutylidene)-5-methylideneimidazolidine-2-thione
CID 57128872
4-(4-Aminobutylidene)-5-ethylideneimidazolidine-2-thione
CID 57182746
2,5,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridine-3-thione
CID 58724330
2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine
CID 68648485
N-ethyl-2,3,3a,4-tetrahydro-1H-benzimidazol-4-amine
CID 69987382
2,3,3a,4-tetrahydro-1H-benzimidazole;hydrochloride
CID 70124449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione?
The IUPAC name of 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione (CID 88944199) is 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione?
The canonical SMILES for 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione is CN1C(=S)NC2CC=CC=C21.
What is the InChIKey of 3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione?
The InChIKey is UDVHBQALTNUVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/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-benzimidazole-2-thione?
3-methyl-7,7a-dihydro-1H-benzimidazole-2-thione has a molecular weight of 166.25 g/mol, XLogP of 1.02, 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-benzimidazole-2-thione is sourced from PubChem (CID 88944199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).