4-cyclopentyl-1,3-dihydroimidazole-2-thione

C8H12N2S — CID 79006683

IUPAC4-cyclopentyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(C2CCCC2)[nH]1
InChIInChI=1S/C8H12N2S/c11-8-9-5-7(10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,9,10,11)
InChIKeyNXPUDNAZGKTAQS-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.73
Rot. Bonds1

About 4-cyclopentyl-1,3-dihydroimidazole-2-thione

4-cyclopentyl-1,3-dihydroimidazole-2-thione (PubChem CID 79006683) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-cyclopentyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-cyclopentyl-1,3-dihydroimidazole-2-thione
PubChem CID79006683
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-cyclopentyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(C2CCCC2)[nH]1
InChIInChI=1S/C8H12N2S/c11-8-9-5-7(10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,9,10,11)
InChIKeyNXPUDNAZGKTAQS-UHFFFAOYSA-N
XLogP2.73
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-cyclopentyl-1,3-dihydroimidazole-2-thione (CID 79006683) is 4-cyclopentyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-cyclopentyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-cyclopentyl-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(C2CCCC2)[nH]1.
What is the InChIKey of 4-cyclopentyl-1,3-dihydroimidazole-2-thione?
The InChIKey is NXPUDNAZGKTAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c11-8-9-5-7(10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,9,10,11).
What are the key properties of 4-cyclopentyl-1,3-dihydroimidazole-2-thione?
4-cyclopentyl-1,3-dihydroimidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 79006683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).