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

C15H20N2S — CID 113333949

IUPAC4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione
SMILESCc1cccc2[nH]c(=S)n(C3C(C)(C)C3(C)C)c12
InChIInChI=1S/C15H20N2S/c1-9-7-6-8-10-11(9)17(13(18)16-10)12-14(2,3)15(12,4)5/h6-8,12H,1-5H3,(H,16,18)
InChIKeySWBYRLKXCKSTSH-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.61
Rot. Bonds1

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

4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione (PubChem CID 113333949) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione
PubChem CID113333949
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione
SMILESCc1cccc2[nH]c(=S)n(C3C(C)(C)C3(C)C)c12
InChIInChI=1S/C15H20N2S/c1-9-7-6-8-10-11(9)17(13(18)16-10)12-14(2,3)15(12,4)5/h6-8,12H,1-5H3,(H,16,18)
InChIKeySWBYRLKXCKSTSH-UHFFFAOYSA-N
XLogP4.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.61
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-cyclopropylpyrrolidin-3-yl)-4-methyl-1H-benzimidazole-2-thione
CID 115551826
4-methyl-3-(1-propylpiperidin-4-yl)-1H-benzimidazole-2-thione
CID 115551794
3-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-2-one
CID 115551854
4-chloro-3-(2,2-dimethylcyclopropyl)-1H-benzimidazole-2-thione
CID 63546935
9,9,11,12-tetramethyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
CID 59946257
4-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106105635
4-methyl-3-octyl-1H-benzimidazole-2-thione
CID 115569099
3-(3,5-difluorophenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551666
3-(4-butylphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551695
3-(3-iodophenyl)-4-methyl-1H-benzimidazole-2-thione
CID 113333916
3-(3,5-dimethoxyphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551624
4-methyl-3-(4-propan-2-ylphenyl)-1H-benzimidazole-2-thione
CID 115551617

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione?
The IUPAC name of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione (CID 113333949) is 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione is Cc1cccc2[nH]c(=S)n(C3C(C)(C)C3(C)C)c12.
What is the InChIKey of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione?
The InChIKey is SWBYRLKXCKSTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-9-7-6-8-10-11(9)17(13(18)16-10)12-14(2,3)15(12,4)5/h6-8,12H,1-5H3,(H,16,18).
What are the key properties of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione?
4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-2-thione has a molecular weight of 260.41 g/mol, XLogP of 4.61, 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-benzimidazole-2-thione is sourced from PubChem (CID 113333949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).