4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione

C11H14N2S — CID 91517243

IUPAC4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione
SMILESC=CC(c1c[nH]c(=S)[nH]1)C1C=CCC1
InChIInChI=1S/C11H14N2S/c1-2-9(8-5-3-4-6-8)10-7-12-11(14)13-10/h2-3,5,7-9H,1,4,6H2,(H2,12,13,14)
InChIKeyKZSXMEGKFWEOFY-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.31
Rot. Bonds3

About 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione

4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione (PubChem CID 91517243) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione
PubChem CID91517243
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione
SMILESC=CC(c1c[nH]c(=S)[nH]1)C1C=CCC1
InChIInChI=1S/C11H14N2S/c1-2-9(8-5-3-4-6-8)10-7-12-11(14)13-10/h2-3,5,7-9H,1,4,6H2,(H2,12,13,14)
InChIKeyKZSXMEGKFWEOFY-UHFFFAOYSA-N
XLogP3.31
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-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

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione (CID 91517243) is 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione is C=CC(c1c[nH]c(=S)[nH]1)C1C=CCC1.
What is the InChIKey of 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is KZSXMEGKFWEOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-9(8-5-3-4-6-8)10-7-12-11(14)13-10/h2-3,5,7-9H,1,4,6H2,(H2,12,13,14).
What are the key properties of 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione?
4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 206.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopent-2-en-1-ylprop-2-enyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 91517243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).