4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one

C13H18FN3O — CID 116978623

IUPAC4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
SMILESCNCCCN1CC(c2ccccc2F)NC1=O
InChIInChI=1S/C13H18FN3O/c1-15-7-4-8-17-9-12(16-13(17)18)10-5-2-3-6-11(10)14/h2-3,5-6,12,15H,4,7-9H2,1H3,(H,16,18)
InChIKeyYXJXCQMJSIRDII-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.50
Rot. Bonds5

About 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one

4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one (PubChem CID 116978623) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
PubChem CID116978623
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
SMILESCNCCCN1CC(c2ccccc2F)NC1=O
InChIInChI=1S/C13H18FN3O/c1-15-7-4-8-17-9-12(16-13(17)18)10-5-2-3-6-11(10)14/h2-3,5-6,12,15H,4,7-9H2,1H3,(H,16,18)
InChIKeyYXJXCQMJSIRDII-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one (CID 116978623) is 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one is CNCCCN1CC(c2ccccc2F)NC1=O.
What is the InChIKey of 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one?
The InChIKey is YXJXCQMJSIRDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-15-7-4-8-17-9-12(16-13(17)18)10-5-2-3-6-11(10)14/h2-3,5-6,12,15H,4,7-9H2,1H3,(H,16,18).
What are the key properties of 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one?
4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 116978623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).