4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione

C11H18N2S — CID 81334647

IUPAC4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1C1C(C)(C)C1(C)C
InChIInChI=1S/C11H18N2S/c1-7-6-12-9(14)13(7)8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,12,14)
InChIKeyKUEHMXHBYXEITD-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.46
Rot. Bonds1

About 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione

4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione (PubChem CID 81334647) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
PubChem CID81334647
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1C1C(C)(C)C1(C)C
InChIInChI=1S/C11H18N2S/c1-7-6-12-9(14)13(7)8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,12,14)
InChIKeyKUEHMXHBYXEITD-UHFFFAOYSA-N
XLogP3.46
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.46
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

3-(1-cyclopropylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862780
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862989
3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863950
3-(1-cyclopropylbutan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863951
4-propan-2-yl-3-(2,4,4-trimethylpentan-2-yl)-1H-imidazole-2-thione
CID 64864136
3-(4-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64865499
3-(2-cyclopropylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 65553195
3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
CID 79362499
4-propan-2-yl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione
CID 79362794
4-propan-2-yl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
CID 79362878
3-(2,3-dimethylbutyl)-4-methyl-1H-imidazole-2-thione
CID 81334521
4-tert-butyl-3-(2-cyclopropylethyl)-1H-imidazole-2-thione
CID 81334526

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione (CID 81334647) is 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1C1C(C)(C)C1(C)C.
What is the InChIKey of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The InChIKey is KUEHMXHBYXEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7-6-12-9(14)13(7)8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,12,14).
What are the key properties of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81334647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).