3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione

C15H20N2S — CID 114041587

IUPAC3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione
SMILESCc1cccc2c1[nH]c(=S)n2C(C)C1CCCC1
InChIInChI=1S/C15H20N2S/c1-10-6-5-9-13-14(10)16-15(18)17(13)11(2)12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyIMQKRKPHBMXTQS-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.76
Rot. Bonds2

About 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione

3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione (PubChem CID 114041587) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione
PubChem CID114041587
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione
SMILESCc1cccc2c1[nH]c(=S)n2C(C)C1CCCC1
InChIInChI=1S/C15H20N2S/c1-10-6-5-9-13-14(10)16-15(18)17(13)11(2)12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyIMQKRKPHBMXTQS-UHFFFAOYSA-N
XLogP4.76
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-cyclopentylethyl)-7-methyl-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

1-(1-cyclopentylethyl)-2-sulfanylidene-3H-benzimidazole-4-carbonitrile
CID 104718425
3-(1-cyclopentylethyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79300743
3-(2-bicyclo[2.2.1]heptanyl)-7-methyl-1H-benzimidazole-2-thione
CID 114041591
4-chloro-3-(1-cyclopropylethyl)-1H-benzimidazole-2-thione
CID 43661044
7-methyl-3-(3-methylpentan-3-yl)-1H-benzimidazole-2-thione
CID 106328865
2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
CID 114041872
4-(1-cyclohexylethyl)-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 62407037
5-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-2-one
CID 114041584
4-(1-cyclohexylethyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896533
1-(1-cyclopropylbutan-2-yl)-2-sulfanylidene-3H-benzimidazole-4-carbonitrile
CID 104718423
3-amino-4-(1-cyclopentylethyl)-1H-1,2,4-triazole-5-thione
CID 64574533
3-(1-cyclohexylethyl)-4-ethyl-1H-imidazole-2-thione
CID 81335326

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione?
The IUPAC name of 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione (CID 114041587) is 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione is Cc1cccc2c1[nH]c(=S)n2C(C)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione?
The InChIKey is IMQKRKPHBMXTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-5-9-13-14(10)16-15(18)17(13)11(2)12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione?
3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione has a molecular weight of 260.41 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethyl)-7-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 114041587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).