1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one

C13H16N2O2 — CID 116624332

IUPAC1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C13H16N2O2/c1-3-14-7-8-15(13(14)16)10-11-5-4-6-12(9-11)17-2/h4-9H,3,10H2,1-2H3
InChIKeyOUBYETUNRAUQGF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one

1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one (PubChem CID 116624332) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
PubChem CID116624332
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C13H16N2O2/c1-3-14-7-8-15(13(14)16)10-11-5-4-6-12(9-11)17-2/h4-9H,3,10H2,1-2H3
InChIKeyOUBYETUNRAUQGF-UHFFFAOYSA-N
XLogP1.73
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22520455
1-[(3-methoxyphenyl)methyl]-7-methylindole
CID 123473530
1-ethyl-3-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione
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1-ethyl-3-methoxybenzene;hydrofluoride
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5-bromo-1-[(3-methoxyphenyl)methyl]indole
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CID 20702839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one (CID 116624332) is 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one is CCn1ccn(Cc2cccc(OC)c2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one?
The InChIKey is OUBYETUNRAUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-14-7-8-15(13(14)16)10-11-5-4-6-12(9-11)17-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one?
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one is sourced from PubChem (CID 116624332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).