2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone

C14H18N2O3S — CID 4275454

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SC)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-18-11-5-4-10(8-12(11)19-2)9-13(17)16-7-6-15-14(16)20-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyIVOOGRQSFMXZQJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.81
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (PubChem CID 4275454) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
PubChem CID4275454
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SC)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-18-11-5-4-10(8-12(11)19-2)9-13(17)16-7-6-15-14(16)20-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyIVOOGRQSFMXZQJ-UHFFFAOYSA-N
XLogP1.81
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone (CID 4275454) is 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is COc1ccc(CC(=O)N2CCN=C2SC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
The InChIKey is IVOOGRQSFMXZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-18-11-5-4-10(8-12(11)19-2)9-13(17)16-7-6-15-14(16)20-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone has a molecular weight of 294.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone is sourced from PubChem (CID 4275454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).