4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione

C11H16N2S — CID 70670394

IUPAC4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESC=C1CCC(Cc2c[nH]c(=S)[nH]2)CC1
InChIInChI=1S/C11H16N2S/c1-8-2-4-9(5-3-8)6-10-7-12-11(14)13-10/h7,9H,1-6H2,(H2,12,13,14)
InChIKeyCCCYXVDQTKACKF-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.36
Rot. Bonds2

About 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione

4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 70670394) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID70670394
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESC=C1CCC(Cc2c[nH]c(=S)[nH]2)CC1
InChIInChI=1S/C11H16N2S/c1-8-2-4-9(5-3-8)6-10-7-12-11(14)13-10/h7,9H,1-6H2,(H2,12,13,14)
InChIKeyCCCYXVDQTKACKF-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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Related Compounds

4-(1,2,3,4,5,6-Hexahydropentalen-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11543100
4-[(2-Methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11543017
2H-Imidazole-2-thione, 4-[(2-ethyl-2-cyclohexen-1-YL)methyl]-1,3-dihydro-
CID 11572105
4-(1,2,3,4,5,6,7,8-Octahydronaphthalen-2-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11608487
2H-Imidazole-2-thione, 4-[(3-ethyl-2-cyclopenten-1-YL)methyl]-1,3-dihydro-
CID 11637074
4-(Cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11644077
4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11687300
4-(3-Cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
CID 15712812
4-[[3-(Aminomethyl)cyclohex-3-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 15949978
4-Cyclohexyl-1,3-dihydroimidazole-2-thione
CID 20361654
4-(1-Methylcyclohexyl)-1,3-dihydroimidazole-2-thione
CID 20361663
4-[(3,4-Dimethylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986051

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione (CID 70670394) is 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione is C=C1CCC(Cc2c[nH]c(=S)[nH]2)CC1.
What is the InChIKey of 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is CCCYXVDQTKACKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-2-4-9(5-3-8)6-10-7-12-11(14)13-10/h7,9H,1-6H2,(H2,12,13,14).
What are the key properties of 4-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(4-methylidenecyclohexyl)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-[(4-methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 70670394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).