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

C11H18N2S — CID 64862989

IUPAC3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C1CC1(C)C
InChIInChI=1S/C11H18N2S/c1-7(2)8-6-12-10(14)13(8)9-5-11(9,3)4/h6-7,9H,5H2,1-4H3,(H,12,14)
InChIKeyMDVAQMNKDFTUEW-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.64
Rot. Bonds2

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

3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64862989) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64862989
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C1CC1(C)C
InChIInChI=1S/C11H18N2S/c1-7(2)8-6-12-10(14)13(8)9-5-11(9,3)4/h6-7,9H,5H2,1-4H3,(H,12,14)
InChIKeyMDVAQMNKDFTUEW-UHFFFAOYSA-N
XLogP3.64
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.64
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

4-t-Butyl-1-isopropyl-1H-imidazole-2-thiol
CID 3845354
Nhgabqwkthvjmr-uhfffaoysa-
CID 10899340
1-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
1-methyl-5-(2-methylpropyl)-1,3-dihydro-2H-imidazole-2-thione
CID 91713070
4-tert-butyl-3-propan-2-yl-1H-imidazole-2-thione
CID 22915003
1-cyclopropyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CID 54594765
1,5-bis(propan-2-yl)-1H-imidazole-2-thiol
CID 54594766
3-(1-cyclopropylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862780
3-[2-[ethyl(methyl)amino]ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862791
3-[2-[methyl(propan-2-yl)amino]ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862792
3-(2-methylbutyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862794
3-(3-methylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862975

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64862989) is 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1C1CC1(C)C.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is MDVAQMNKDFTUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7(2)8-6-12-10(14)13(8)9-5-11(9,3)4/h6-7,9H,5H2,1-4H3,(H,12,14).
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64862989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).