1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

C14H16N2O3S — CID 24819419

IUPAC1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nccn2C)c(OC)c1
InChIInChI=1S/C14H16N2O3S/c1-16-7-6-15-14(16)20-9-12(17)11-5-4-10(18-2)8-13(11)19-3/h4-8H,9H2,1-3H3
InChIKeyWDSHFVMSGNCNNY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.41
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 24819419) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID24819419
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nccn2C)c(OC)c1
InChIInChI=1S/C14H16N2O3S/c1-16-7-6-15-14(16)20-9-12(17)11-5-4-10(18-2)8-13(11)19-3/h4-8H,9H2,1-3H3
InChIKeyWDSHFVMSGNCNNY-UHFFFAOYSA-N
XLogP2.41
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 24819419) is 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is COc1ccc(C(=O)CSc2nccn2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is WDSHFVMSGNCNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16-7-6-15-14(16)20-9-12(17)11-5-4-10(18-2)8-13(11)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 292.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 24819419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).