1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole

C12H14N2S — CID 5063073

IUPAC1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
SMILESCc1ccccc1CSc1nccn1C
InChIInChI=1S/C12H14N2S/c1-10-5-3-4-6-11(10)9-15-12-13-7-8-14(12)2/h3-8H,9H2,1-2H3
InChIKeyRSVLFFZPGDDQKP-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.02
Rot. Bonds3

About 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole

1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole (PubChem CID 5063073) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
PubChem CID5063073
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
SMILESCc1ccccc1CSc1nccn1C
InChIInChI=1S/C12H14N2S/c1-10-5-3-4-6-11(10)9-15-12-13-7-8-14(12)2/h3-8H,9H2,1-2H3
InChIKeyRSVLFFZPGDDQKP-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole?
The IUPAC name of 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole (CID 5063073) is 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole?
The canonical SMILES for 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole is Cc1ccccc1CSc1nccn1C.
What is the InChIKey of 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole?
The InChIKey is RSVLFFZPGDDQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10-5-3-4-6-11(10)9-15-12-13-7-8-14(12)2/h3-8H,9H2,1-2H3.
What are the key properties of 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole?
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole has a molecular weight of 218.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole is sourced from PubChem (CID 5063073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).