3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one

C12H14N2O2 — CID 86043980

IUPAC3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one
SMILESCOc1ccccc1-n1c(C)cn(C)c1=O
InChIInChI=1S/C12H14N2O2/c1-9-8-13(2)12(15)14(9)10-6-4-5-7-11(10)16-3/h4-8H,1-3H3
InChIKeyXCGQWWJGMXNISW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.49
Rot. Bonds2

About 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one

3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one (PubChem CID 86043980) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one
PubChem CID86043980
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one
SMILESCOc1ccccc1-n1c(C)cn(C)c1=O
InChIInChI=1S/C12H14N2O2/c1-9-8-13(2)12(15)14(9)10-6-4-5-7-11(10)16-3/h4-8H,1-3H3
InChIKeyXCGQWWJGMXNISW-UHFFFAOYSA-N
XLogP1.49
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one (CID 86043980) is 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one is COc1ccccc1-n1c(C)cn(C)c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one?
The InChIKey is XCGQWWJGMXNISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-8-13(2)12(15)14(9)10-6-4-5-7-11(10)16-3/h4-8H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one?
3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 86043980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).