1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole

C10H16N2OS — CID 4877496

IUPAC1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole
SMILESCn1ccnc1SCC1CCCCO1
InChIInChI=1S/C10H16N2OS/c1-12-6-5-11-10(12)14-8-9-4-2-3-7-13-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWUDQBRQPFHQCPZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.08
Rot. Bonds3

About 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole

1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole (PubChem CID 4877496) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole
PubChem CID4877496
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole
SMILESCn1ccnc1SCC1CCCCO1
InChIInChI=1S/C10H16N2OS/c1-12-6-5-11-10(12)14-8-9-4-2-3-7-13-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWUDQBRQPFHQCPZ-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(oxan-2-ylmethylsulfanyl)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 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole?
The IUPAC name of 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole (CID 4877496) is 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole.
What is the SMILES notation for 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole?
The canonical SMILES for 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole is Cn1ccnc1SCC1CCCCO1.
What is the InChIKey of 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole?
The InChIKey is WUDQBRQPFHQCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-6-5-11-10(12)14-8-9-4-2-3-7-13-9/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole?
1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole has a molecular weight of 212.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(oxan-2-ylmethylsulfanyl)imidazole is sourced from PubChem (CID 4877496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).