4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole

C14H24N2OS — CID 47007558

IUPAC4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole
SMILESCc1nc(SCC(C)C)n(CC2CCCO2)c1C
InChIInChI=1S/C14H24N2OS/c1-10(2)9-18-14-15-11(3)12(4)16(14)8-13-6-5-7-17-13/h10,13H,5-9H2,1-4H3
InChIKeyFDVAQQMZEVMZKL-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.43
Rot. Bonds5

About 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole

4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole (PubChem CID 47007558) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole
PubChem CID47007558
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole
SMILESCc1nc(SCC(C)C)n(CC2CCCO2)c1C
InChIInChI=1S/C14H24N2OS/c1-10(2)9-18-14-15-11(3)12(4)16(14)8-13-6-5-7-17-13/h10,13H,5-9H2,1-4H3
InChIKeyFDVAQQMZEVMZKL-UHFFFAOYSA-N
XLogP3.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole?
The IUPAC name of 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole (CID 47007558) is 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole?
The canonical SMILES for 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole is Cc1nc(SCC(C)C)n(CC2CCCO2)c1C.
What is the InChIKey of 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole?
The InChIKey is FDVAQQMZEVMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)9-18-14-15-11(3)12(4)16(14)8-13-6-5-7-17-13/h10,13H,5-9H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole?
4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole has a molecular weight of 268.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methylpropylsulfanyl)-1-(oxolan-2-ylmethyl)imidazole is sourced from PubChem (CID 47007558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).