2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole

C15H20N2O3S — CID 71975528

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole
SMILESCCn1ccnc1CS(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H20N2O3S/c1-5-17-7-6-16-15(17)10-21(18)14-9-13(20-4)12(19-3)8-11(14)2/h6-9H,5,10H2,1-4H3
InChIKeyFXRFOUMLSSJIBQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.54
Rot. Bonds6

About 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole

2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole (PubChem CID 71975528) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole
PubChem CID71975528
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole
SMILESCCn1ccnc1CS(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H20N2O3S/c1-5-17-7-6-16-15(17)10-21(18)14-9-13(20-4)12(19-3)8-11(14)2/h6-9H,5,10H2,1-4H3
InChIKeyFXRFOUMLSSJIBQ-UHFFFAOYSA-N
XLogP2.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole (CID 71975528) is 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole is CCn1ccnc1CS(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole?
The InChIKey is FXRFOUMLSSJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-17-7-6-16-15(17)10-21(18)14-9-13(20-4)12(19-3)8-11(14)2/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole?
2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole has a molecular weight of 308.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)sulfinylmethyl]-1-ethylimidazole is sourced from PubChem (CID 71975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).