3-(cyclopentylmethyl)-1H-imidazole-2-thione

C9H14N2S — CID 43371190

IUPAC3-(cyclopentylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CC1CCCC1
InChIInChI=1S/C9H14N2S/c12-9-10-5-6-11(9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,10,12)
InChIKeyFTUZZGHKDMHPAQ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.74
Rot. Bonds2

About 3-(cyclopentylmethyl)-1H-imidazole-2-thione

3-(cyclopentylmethyl)-1H-imidazole-2-thione (PubChem CID 43371190) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-1H-imidazole-2-thione
PubChem CID43371190
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-(cyclopentylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CC1CCCC1
InChIInChI=1S/C9H14N2S/c12-9-10-5-6-11(9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,10,12)
InChIKeyFTUZZGHKDMHPAQ-UHFFFAOYSA-N
XLogP2.74
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.74
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-(Cyclopentylmethyl)-1,2-dihydroimidazole
CID 59091162
1-(Cyclobutylmethyl)-1,3-dihydro-2H-imidazole-2-thione
CID 43298787
3-(cyclohexylmethyl)-1H-imidazole-2-thione
CID 43371600
3-(2-cyclopentylethyl)-1H-imidazole-2-thione
CID 60920502
3-(2-cyclohexylethyl)-1H-imidazole-2-thione
CID 60920964
3-(4-methylpentyl)-1H-imidazole-2-thione
CID 63003167
3-[(4-methylcyclohexyl)methyl]-1H-imidazole-2-thione
CID 63243818
3-(2-methylcyclopentyl)-1H-imidazole-2-thione
CID 63281731
3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
CID 63829416
3-(5-methylhexan-2-yl)-1H-imidazole-2-thione
CID 63926515
3-(1-cyclopropylpropan-2-yl)-1H-imidazole-2-thione
CID 64002119
3-(1-cyclopentylethyl)-1H-imidazole-2-thione
CID 64112505

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(cyclopentylmethyl)-1H-imidazole-2-thione (CID 43371190) is 3-(cyclopentylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(cyclopentylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(cyclopentylmethyl)-1H-imidazole-2-thione is S=c1[nH]ccn1CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethyl)-1H-imidazole-2-thione?
The InChIKey is FTUZZGHKDMHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c12-9-10-5-6-11(9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,10,12).
What are the key properties of 3-(cyclopentylmethyl)-1H-imidazole-2-thione?
3-(cyclopentylmethyl)-1H-imidazole-2-thione has a molecular weight of 182.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 43371190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).