2-(2-methylphenyl)sulfanyl-1H-imidazole

C10H10N2S — CID 67575257

IUPAC2-(2-methylphenyl)sulfanyl-1H-imidazole
SMILESCc1ccccc1Sc1ncc[nH]1
InChIInChI=1S/C10H10N2S/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyLOMSEYJPKBYJHE-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.87
Rot. Bonds2

About 2-(2-methylphenyl)sulfanyl-1H-imidazole

2-(2-methylphenyl)sulfanyl-1H-imidazole (PubChem CID 67575257) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1H-imidazole
PubChem CID67575257
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-(2-methylphenyl)sulfanyl-1H-imidazole
SMILESCc1ccccc1Sc1ncc[nH]1
InChIInChI=1S/C10H10N2S/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyLOMSEYJPKBYJHE-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 107780639
N-[[2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107783150
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
1-(1H-imidazol-2-ylsulfanyl)anthracene-9,10-dione
CID 67588051
N-ethyl-1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 107780572
1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783372
2-(1H-imidazol-2-ylsulfanyl)-4-methylbenzonitrile
CID 107780074
5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
CID 107779352
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)-4-methylphenyl]ethanamine
CID 114000787
1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 107783602
4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde
CID 107782964

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1H-imidazole?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1H-imidazole (CID 67575257) is 2-(2-methylphenyl)sulfanyl-1H-imidazole.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1H-imidazole?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1H-imidazole is Cc1ccccc1Sc1ncc[nH]1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1H-imidazole?
The InChIKey is LOMSEYJPKBYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-7H,1H3,(H,11,12).
What are the key properties of 2-(2-methylphenyl)sulfanyl-1H-imidazole?
2-(2-methylphenyl)sulfanyl-1H-imidazole has a molecular weight of 190.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-1H-imidazole is sourced from PubChem (CID 67575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).