1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole

C14H18N2S — CID 2806849

IUPAC1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole
SMILESCc1cc(C)c(CSc2nccn2C)c(C)c1
InChIInChI=1S/C14H18N2S/c1-10-7-11(2)13(12(3)8-10)9-17-14-15-5-6-16(14)4/h5-8H,9H2,1-4H3
InChIKeyUQMLILQOVRSGJM-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.64
Rot. Bonds3

About 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole

1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole (PubChem CID 2806849) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole
PubChem CID2806849
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole
SMILESCc1cc(C)c(CSc2nccn2C)c(C)c1
InChIInChI=1S/C14H18N2S/c1-10-7-11(2)13(12(3)8-10)9-17-14-15-5-6-16(14)4/h5-8H,9H2,1-4H3
InChIKeyUQMLILQOVRSGJM-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole?
The IUPAC name of 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole (CID 2806849) is 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole?
The canonical SMILES for 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole is Cc1cc(C)c(CSc2nccn2C)c(C)c1.
What is the InChIKey of 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole?
The InChIKey is UQMLILQOVRSGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-7-11(2)13(12(3)8-10)9-17-14-15-5-6-16(14)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole?
1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole has a molecular weight of 246.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]imidazole is sourced from PubChem (CID 2806849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).