4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione

C13H18N2S — CID 11687300

IUPAC4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CC2CCC3=C2CCCC3)[nH]1
InChIInChI=1S/C13H18N2S/c16-13-14-8-11(15-13)7-10-6-5-9-3-1-2-4-12(9)10/h8,10H,1-7H2,(H2,14,15,16)
InChIKeyGTSGENCQCKRYKE-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.90
Rot. Bonds2

About 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione

4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 11687300) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione
PubChem CID11687300
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CC2CCC3=C2CCCC3)[nH]1
InChIInChI=1S/C13H18N2S/c16-13-14-8-11(15-13)7-10-6-5-9-3-1-2-4-12(9)10/h8,10H,1-7H2,(H2,14,15,16)
InChIKeyGTSGENCQCKRYKE-UHFFFAOYSA-N
XLogP3.90
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.90
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-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-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-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione (CID 11687300) is 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(CC2CCC3=C2CCCC3)[nH]1.
What is the InChIKey of 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is GTSGENCQCKRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c16-13-14-8-11(15-13)7-10-6-5-9-3-1-2-4-12(9)10/h8,10H,1-7H2,(H2,14,15,16).
What are the key properties of 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 234.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 11687300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).