4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole

C7H12N2OS — CID 12885461

IUPAC4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole
SMILESCOCc1nc(SC)[nH]c1C
InChIInChI=1S/C7H12N2OS/c1-5-6(4-10-2)9-7(8-5)11-3/h4H2,1-3H3,(H,8,9)
InChIKeyAGOVWWLNTGWMIY-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.59
Rot. Bonds3

About 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole

4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole (PubChem CID 12885461) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole
PubChem CID12885461
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole
SMILESCOCc1nc(SC)[nH]c1C
InChIInChI=1S/C7H12N2OS/c1-5-6(4-10-2)9-7(8-5)11-3/h4H2,1-3H3,(H,8,9)
InChIKeyAGOVWWLNTGWMIY-UHFFFAOYSA-N
XLogP1.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole?
The IUPAC name of 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole (CID 12885461) is 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole is COCc1nc(SC)[nH]c1C.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole?
The InChIKey is AGOVWWLNTGWMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-6(4-10-2)9-7(8-5)11-3/h4H2,1-3H3,(H,8,9).
What are the key properties of 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole?
4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole has a molecular weight of 172.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methyl-2-methylsulfanyl-1H-imidazole is sourced from PubChem (CID 12885461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).