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

C14H17FN2O — CID 105375364

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(F)ccc2C)c1=O
InChIInChI=1S/C14H17FN2O/c1-3-6-16-7-8-17(14(16)18)10-12-9-13(15)5-4-11(12)2/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyPUOLFYZSGSBRDL-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.56
Rot. Bonds4

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

1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one (PubChem CID 105375364) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
PubChem CID105375364
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(F)ccc2C)c1=O
InChIInChI=1S/C14H17FN2O/c1-3-6-16-7-8-17(14(16)18)10-12-9-13(15)5-4-11(12)2/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyPUOLFYZSGSBRDL-UHFFFAOYSA-N
XLogP2.56
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362
3-[(5-fluoro-2-methylphenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 105376220
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
3-[(5-fluoro-2-methylphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 105375307
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
ethyl 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421801
2-fluoro-3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzonitrile
CID 107115055
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one (CID 105375364) is 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cc(F)ccc2C)c1=O.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is PUOLFYZSGSBRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-6-16-7-8-17(14(16)18)10-12-9-13(15)5-4-11(12)2/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one?
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 248.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 105375364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).