4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione

C15H16N2S2 — CID 115551762

IUPAC4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione
SMILESCc1ccc(C(C)n2c(=S)[nH]c3cccc(C)c32)s1
InChIInChI=1S/C15H16N2S2/c1-9-5-4-6-12-14(9)17(15(18)16-12)11(3)13-8-7-10(2)19-13/h4-8,11H,1-3H3,(H,16,18)
InChIKeyDVIALDDZNNPKNG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.99
Rot. Bonds2

About 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione

4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione (PubChem CID 115551762) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione
PubChem CID115551762
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione
SMILESCc1ccc(C(C)n2c(=S)[nH]c3cccc(C)c32)s1
InChIInChI=1S/C15H16N2S2/c1-9-5-4-6-12-14(9)17(15(18)16-12)11(3)13-8-7-10(2)19-13/h4-8,11H,1-3H3,(H,16,18)
InChIKeyDVIALDDZNNPKNG-UHFFFAOYSA-N
XLogP4.99
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione 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

4-methyl-3-(1-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 115551704
4-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115551956
3-[1-(5-methylthiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289721
3-[1-(furan-2-yl)ethyl]-4-methyl-1H-benzimidazole-2-thione
CID 115551705
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1H-benzimidazole-2-thione
CID 115552001
3-hexan-3-yl-4-methyl-1H-benzimidazole-2-thione
CID 115551855
7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288861
3-[1-(furan-2-yl)propan-2-yl]-4-methyl-1H-benzimidazole-2-thione
CID 115551754
3-[1-(5-chlorothiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289141
4-methyl-3-(4-propan-2-ylphenyl)-1H-benzimidazole-2-thione
CID 115551617
4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione
CID 113333949
3-propan-2-yl-2-sulfanylidene-1H-benzimidazole-4-carbonitrile
CID 134444136

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione?
The IUPAC name of 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione (CID 115551762) is 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione is Cc1ccc(C(C)n2c(=S)[nH]c3cccc(C)c32)s1.
What is the InChIKey of 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione?
The InChIKey is DVIALDDZNNPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-9-5-4-6-12-14(9)17(15(18)16-12)11(3)13-8-7-10(2)19-13/h4-8,11H,1-3H3,(H,16,18).
What are the key properties of 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione?
4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione has a molecular weight of 288.44 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 115551762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).