2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole

C13H22N2OS — CID 56800693

IUPAC2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole
SMILESCOCCn1c(SC2CCCC2)nc(C)c1C
InChIInChI=1S/C13H22N2OS/c1-10-11(2)15(8-9-16-3)13(14-10)17-12-6-4-5-7-12/h12H,4-9H2,1-3H3
InChIKeyYOUPHQBCLLLQFQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.18
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole

2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole (PubChem CID 56800693) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole
PubChem CID56800693
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole
SMILESCOCCn1c(SC2CCCC2)nc(C)c1C
InChIInChI=1S/C13H22N2OS/c1-10-11(2)15(8-9-16-3)13(14-10)17-12-6-4-5-7-12/h12H,4-9H2,1-3H3
InChIKeyYOUPHQBCLLLQFQ-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole (CID 56800693) is 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole is COCCn1c(SC2CCCC2)nc(C)c1C.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole?
The InChIKey is YOUPHQBCLLLQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-11(2)15(8-9-16-3)13(14-10)17-12-6-4-5-7-12/h12H,4-9H2,1-3H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole?
2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole has a molecular weight of 254.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2-methoxyethyl)-4,5-dimethylimidazole is sourced from PubChem (CID 56800693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).