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

C11H18N2S — CID 79362331

IUPAC3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione
SMILESCC1(C)C(Cn2cc[nH]c2=S)C1(C)C
InChIInChI=1S/C11H18N2S/c1-10(2)8(11(10,3)4)7-13-6-5-12-9(13)14/h5-6,8H,7H2,1-4H3,(H,12,14)
InChIKeyITUCCHQOFMKXCB-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.23
Rot. Bonds2

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

3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione (PubChem CID 79362331) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione
PubChem CID79362331
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione
SMILESCC1(C)C(Cn2cc[nH]c2=S)C1(C)C
InChIInChI=1S/C11H18N2S/c1-10(2)8(11(10,3)4)7-13-6-5-12-9(13)14/h5-6,8H,7H2,1-4H3,(H,12,14)
InChIKeyITUCCHQOFMKXCB-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-(2,4,4-trimethylpentan-2-yl)-1H-imidazole-2-thione
CID 61667382
3-(4-methylpentyl)-1H-imidazole-2-thione
CID 63003167
3-[(1-methylcyclopentyl)methyl]-1H-imidazole-2-thione
CID 63829416
3-(1-cyclopropylpropan-2-yl)-1H-imidazole-2-thione
CID 64002119
3-(1-cyclopropylbutan-2-yl)-1H-imidazole-2-thione
CID 64002120
3-(2,3-dimethylbutyl)-1H-imidazole-2-thione
CID 64599410
3-(4-methylhexan-2-yl)-1H-imidazole-2-thione
CID 65440647
3-(2-cyclopropylethyl)-1H-imidazole-2-thione
CID 65560235
3-(2,2-dicyclopropylethyl)-1H-imidazole-2-thione
CID 65560236
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
3-[[1-(2-methylpropyl)cyclopentyl]methyl]-1H-imidazole-2-thione
CID 80241923

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione (CID 79362331) is 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione is CC1(C)C(Cn2cc[nH]c2=S)C1(C)C.
What is the InChIKey of 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione?
The InChIKey is ITUCCHQOFMKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10(2)8(11(10,3)4)7-13-6-5-12-9(13)14/h5-6,8H,7H2,1-4H3,(H,12,14).
What are the key properties of 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione?
3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 79362331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).