1-benzyl-5-methyl-2-methylsulfanylimidazole

C12H14N2S — CID 58970640

IUPAC1-benzyl-5-methyl-2-methylsulfanylimidazole
SMILESCSc1ncc(C)n1Cc1ccccc1
InChIInChI=1S/C12H14N2S/c1-10-8-13-12(15-2)14(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeySLJBOTDPDQNCFZ-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.96
Rot. Bonds3

About 1-benzyl-5-methyl-2-methylsulfanylimidazole

1-benzyl-5-methyl-2-methylsulfanylimidazole (PubChem CID 58970640) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-benzyl-5-methyl-2-methylsulfanylimidazole.

Molecular Properties

Compound Name1-benzyl-5-methyl-2-methylsulfanylimidazole
PubChem CID58970640
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-benzyl-5-methyl-2-methylsulfanylimidazole
SMILESCSc1ncc(C)n1Cc1ccccc1
InChIInChI=1S/C12H14N2S/c1-10-8-13-12(15-2)14(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeySLJBOTDPDQNCFZ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
1-[4-(3-benzyl-2-methylsulfanylimidazol-4-yl)-5-[2-(2-chlorophenyl)acetyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]-2-(2-chlorophenyl)ethanone
CID 45270936
2-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337196
2-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81337181
3-benzyl-2-methylsulfanyl-5-nitrosoimidazol-4-ol
CID 2726687
1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
CID 23828521
4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
CID 176515378
1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 15434319
1-benzyl-5-(4-fluorophenyl)-2-(methoxymethylsulfanyl)imidazole
CID 39952603
dimethyl 4-(3-benzyl-2-methylsulfanylimidazol-4-yl)-2-[2-(dimethylamino)ethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11712795
2-methylsulfanyl-3-phenylimidazol-4-amine
CID 101471357

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-2-methylsulfanylimidazole?
The IUPAC name of 1-benzyl-5-methyl-2-methylsulfanylimidazole (CID 58970640) is 1-benzyl-5-methyl-2-methylsulfanylimidazole.
What is the SMILES notation for 1-benzyl-5-methyl-2-methylsulfanylimidazole?
The canonical SMILES for 1-benzyl-5-methyl-2-methylsulfanylimidazole is CSc1ncc(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-2-methylsulfanylimidazole?
The InChIKey is SLJBOTDPDQNCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10-8-13-12(15-2)14(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-benzyl-5-methyl-2-methylsulfanylimidazole?
1-benzyl-5-methyl-2-methylsulfanylimidazole has a molecular weight of 218.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-2-methylsulfanylimidazole is sourced from PubChem (CID 58970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).