4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione

C10H14N2S — CID 11644077

IUPAC4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CC2C=CCCC2)[nH]1
InChIInChI=1S/C10H14N2S/c13-10-11-7-9(12-10)6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2,(H2,11,12,13)
InChIKeyKTWMAAYEVSRUTJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.97
Rot. Bonds2

About 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione

4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 11644077) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
PubChem CID11644077
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CC2C=CCCC2)[nH]1
InChIInChI=1S/C10H14N2S/c13-10-11-7-9(12-10)6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2,(H2,11,12,13)
InChIKeyKTWMAAYEVSRUTJ-UHFFFAOYSA-N
XLogP2.97
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.97
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione (CID 11644077) is 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(CC2C=CCCC2)[nH]1.
What is the InChIKey of 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is KTWMAAYEVSRUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c13-10-11-7-9(12-10)6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2,(H2,11,12,13).
What are the key properties of 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione?
4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 194.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 11644077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).