4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione

C12H16N2S — CID 89317928

IUPAC4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione
SMILESC=C/C=C(\C=C(C)C)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C12H16N2S/c1-4-5-10(6-9(2)3)7-11-8-13-12(15)14-11/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)/b10-5+
InChIKeyVBZCNZDKIRSVLE-BJMVGYQFSA-N
MW220.34 g/mol
LogP3.69
Rot. Bonds4

About 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione

4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione (PubChem CID 89317928) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione
PubChem CID89317928
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione
SMILESC=C/C=C(\C=C(C)C)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C12H16N2S/c1-4-5-10(6-9(2)3)7-11-8-13-12(15)14-11/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)/b10-5+
InChIKeyVBZCNZDKIRSVLE-BJMVGYQFSA-N
XLogP3.69
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-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-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione (CID 89317928) is 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione is C=C/C=C(\C=C(C)C)Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is VBZCNZDKIRSVLE-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-5-10(6-9(2)3)7-11-8-13-12(15)14-11/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)/b10-5+.
What are the key properties of 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione?
4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 220.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 89317928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).