6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione

C15H20N2S — CID 63831401

IUPAC6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2CC1(C)CCCC1
InChIInChI=1S/C15H20N2S/c1-11-5-6-13-12(9-11)16-14(18)17(13)10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyDKJCYNPYGWKERT-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.59
Rot. Bonds2

About 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione

6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione (PubChem CID 63831401) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione
PubChem CID63831401
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2CC1(C)CCCC1
InChIInChI=1S/C15H20N2S/c1-11-5-6-13-12(9-11)16-14(18)17(13)10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyDKJCYNPYGWKERT-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

Methyl-2-mercaptobenzimidazole
CID 3034478
(5S)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
CID 3000236
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
CID 712373
6,6'-methylenebis(1H-benzimidazole-2-thiol)
CID 802901
1,3-Dihydro-1-(1-methylethyl)-5-(trifluoromethyl)-2H-benzimidazole-2-thione
CID 2747503
1-benzyl-1H-benzimidazole-2-thiol
CID 764299
1-(propan-2-yl)-1H-1,3-benzodiazole-2-thiol
CID 720070
(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2-thione
CID 44275616
{[4-(Methylethyl)phenyl]amino}pyrrolidinylmethane-1-thione
CID 3273195
N-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 7739310
N-(4-butylphenyl)pyrrolidine-1-carbothioamide
CID 19653621

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione?
The IUPAC name of 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione (CID 63831401) is 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione is Cc1ccc2c(c1)[nH]c(=S)n2CC1(C)CCCC1.
What is the InChIKey of 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione?
The InChIKey is DKJCYNPYGWKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-5-6-13-12(9-11)16-14(18)17(13)10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione?
6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione has a molecular weight of 260.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 63831401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).