3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione

C13H22N2S — CID 64863951

IUPAC3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCCC(CC1CC1)n1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C13H22N2S/c1-4-11(7-10-5-6-10)15-12(9(2)3)8-14-13(15)16/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyHIRQZLOZGCVBTB-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.42
Rot. Bonds5

About 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione

3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863951) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863951
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCCC(CC1CC1)n1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C13H22N2S/c1-4-11(7-10-5-6-10)15-12(9(2)3)8-14-13(15)16/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyHIRQZLOZGCVBTB-UHFFFAOYSA-N
XLogP4.42
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.42
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
3-hexyl-4-propyl-1H-imidazole-2-thione
CID 23319745
3-cyclohexyl-4-hexyl-1H-imidazole-2-thione
CID 23319750
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
4-(2-Propylhexyl)-1,3-dihydroimidazole-2-thione
CID 143389056
1-cyclopropyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CID 54594765
3-(1-cyclopropylpropan-2-yl)-1H-imidazole-2-thione
CID 64002119
3-(1-cyclopropylbutan-2-yl)-1H-imidazole-2-thione
CID 64002120
3-cyclooctyl-4-propan-2-yl-1H-imidazole-2-thione
CID 64862768
3-(2-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862774
3-(1-cyclopropylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862780
3-(2-ethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862782

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64863951) is 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione is CCC(CC1CC1)n1c(C(C)C)c[nH]c1=S.
What is the InChIKey of 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is HIRQZLOZGCVBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-11(7-10-5-6-10)15-12(9(2)3)8-14-13(15)16/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 238.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).