3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione

C15H20N2S — CID 64914831

IUPAC3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione
SMILESCCC1CCC(n2c(=S)[nH]c3ccccc32)C1C
InChIInChI=1S/C15H20N2S/c1-3-11-8-9-13(10(11)2)17-14-7-5-4-6-12(14)16-15(17)18/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyROASKMBITRLQJY-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.70
Rot. Bonds2

About 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione

3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione (PubChem CID 64914831) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione
PubChem CID64914831
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione
SMILESCCC1CCC(n2c(=S)[nH]c3ccccc32)C1C
InChIInChI=1S/C15H20N2S/c1-3-11-8-9-13(10(11)2)17-14-7-5-4-6-12(14)16-15(17)18/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyROASKMBITRLQJY-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethyl-2-methylcyclopentyl)-5,7-difluoro-1H-benzimidazole-2-thione
CID 115508433
4-ethyl-3-(3-ethyl-2-methylcyclopentyl)-1H-imidazole-2-thione
CID 81334995
2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 64914844
5-bromo-3-(2,3-dimethylcyclohexyl)-1H-benzimidazole-2-thione
CID 65347320
4-(3-ethyl-2-methylcyclopentyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 64916424
3-(1-methylpiperidin-3-yl)-1H-benzimidazole-2-thione
CID 55138546
4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 104838303
6-bromo-3-(2-methylcyclopentyl)-1H-benzimidazole-2-thione
CID 63547485
6-bromo-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione
CID 62409952
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719031
7-ethoxy-3-(2-methylcyclopropyl)-1H-benzimidazole-2-thione
CID 113393003
zinc 3-methyl-1H-benzimidazole-2-thione
CID 18320450

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione?
The IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione (CID 64914831) is 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione is CCC1CCC(n2c(=S)[nH]c3ccccc32)C1C.
What is the InChIKey of 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione?
The InChIKey is ROASKMBITRLQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-11-8-9-13(10(11)2)17-14-7-5-4-6-12(14)16-15(17)18/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione?
3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione has a molecular weight of 260.41 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 64914831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).