3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione

C14H24N2S — CID 64863746

IUPAC3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CC1CCCCC1C
InChIInChI=1S/C14H24N2S/c1-10(2)13-8-15-14(17)16(13)9-12-7-5-4-6-11(12)3/h8,10-12H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyLBDZKBBFOLDJHH-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.50
Rot. Bonds3

About 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione

3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863746) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863746
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CC1CCCCC1C
InChIInChI=1S/C14H24N2S/c1-10(2)13-8-15-14(17)16(13)9-12-7-5-4-6-11(12)3/h8,10-12H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyLBDZKBBFOLDJHH-UHFFFAOYSA-N
XLogP4.50
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
4-(3-Cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
CID 15712812
4-Cyclohexyl-1,3-dihydroimidazole-2-thione
CID 20361654
4-[(4-Methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
CID 70670394
4-[(2-Methylcyclopentyl)methyl]-1,3-dihydroimidazole-2-thione
CID 88917736
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
4-(Cyclohexylmethyl)-1,3-dihydroimidazole-2-thione
CID 129928907
6-Cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
CID 134368074
4-(3-Propylheptan-2-yl)-1,3-dihydroimidazole-2-thione
CID 143389054
4-(2-Propylhexyl)-1,3-dihydroimidazole-2-thione
CID 143389056
3-[(2-methylcyclohexyl)methyl]-1H-imidazole-2-thione
CID 61611149
3-(2-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862774

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione (CID 64863746) is 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CC1CCCCC1C.
What is the InChIKey of 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is LBDZKBBFOLDJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)13-8-15-14(17)16(13)9-12-7-5-4-6-11(12)3/h8,10-12H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione?
3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 252.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).