4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione

C11H16N2S — CID 11543017

IUPAC4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1=CCCCC1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C11H16N2S/c1-8-4-2-3-5-9(8)6-10-7-12-11(14)13-10/h4,7,9H,2-3,5-6H2,1H3,(H2,12,13,14)
InChIKeyHQHXJKHZOLKOQU-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.36
Rot. Bonds2

About 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione

4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 11543017) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID11543017
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1=CCCCC1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C11H16N2S/c1-8-4-2-3-5-9(8)6-10-7-12-11(14)13-10/h4,7,9H,2-3,5-6H2,1H3,(H2,12,13,14)
InChIKeyHQHXJKHZOLKOQU-UHFFFAOYSA-N
XLogP3.36
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.36
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-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione (CID 11543017) is 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione is CC1=CCCCC1Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is HQHXJKHZOLKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-4-2-3-5-9(8)6-10-7-12-11(14)13-10/h4,7,9H,2-3,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 208.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 11543017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).