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

C12H16FN3O — CID 28970678

IUPAC1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c13-11-3-1-2-10(8-11)9-14-4-6-16-7-5-15-12(16)17/h1-3,8,14H,4-7,9H2,(H,15,17)
InChIKeyLNNGDSPWDMFWAA-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.94
Rot. Bonds5

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

1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 28970678) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID28970678
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c13-11-3-1-2-10(8-11)9-14-4-6-16-7-5-15-12(16)17/h1-3,8,14H,4-7,9H2,(H,15,17)
InChIKeyLNNGDSPWDMFWAA-UHFFFAOYSA-N
XLogP0.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.94
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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Related Compounds

1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 107230430
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
CID 45173361
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 66799765
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 56943523
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one (CID 28970678) is 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is LNNGDSPWDMFWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-11-3-1-2-10(8-11)9-14-4-6-16-7-5-15-12(16)17/h1-3,8,14H,4-7,9H2,(H,15,17).
What are the key properties of 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 237.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 28970678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).