1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one

C13H15FN2O — CID 105375362

IUPAC1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2cc(F)ccc2C)c1=O
InChIInChI=1S/C13H15FN2O/c1-3-15-6-7-16(13(15)17)9-11-8-12(14)5-4-10(11)2/h4-8H,3,9H2,1-2H3
InChIKeyXPNOCXRSNDKDNB-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.17
Rot. Bonds3

About 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one

1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one (PubChem CID 105375362) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
PubChem CID105375362
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2cc(F)ccc2C)c1=O
InChIInChI=1S/C13H15FN2O/c1-3-15-6-7-16(13(15)17)9-11-8-12(14)5-4-10(11)2/h4-8H,3,9H2,1-2H3
InChIKeyXPNOCXRSNDKDNB-UHFFFAOYSA-N
XLogP2.17
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
ethyl 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421801
3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 105375307
1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 99825240
3-[(5-fluoro-2-methylphenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 105376220
5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 105375384
1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
CID 105372599
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300
1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 105376392
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579365
1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 105375774

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one (CID 105375362) is 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one is CCn1ccn(Cc2cc(F)ccc2C)c1=O.
What is the InChIKey of 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one?
The InChIKey is XPNOCXRSNDKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-15-6-7-16(13(15)17)9-11-8-12(14)5-4-10(11)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one?
1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one is sourced from PubChem (CID 105375362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).