1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one

C12H16FN3O2 — CID 43380794

IUPAC1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
SMILESCOc1ccc(NCCN2CCNC2=O)cc1F
InChIInChI=1S/C12H16FN3O2/c1-18-11-3-2-9(8-10(11)13)14-4-6-16-7-5-15-12(16)17/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyAURUMJRLVKYRBE-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.27
Rot. Bonds5

About 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one

1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one (PubChem CID 43380794) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
PubChem CID43380794
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
SMILESCOc1ccc(NCCN2CCNC2=O)cc1F
InChIInChI=1S/C12H16FN3O2/c1-18-11-3-2-9(8-10(11)13)14-4-6-16-7-5-15-12(16)17/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyAURUMJRLVKYRBE-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
CID 28576905
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 28581002
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
CID 62809560
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118763815
3-fluoro-4-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54960944
1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
CID 63363032
1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
CID 115564338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one (CID 43380794) is 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one is COc1ccc(NCCN2CCNC2=O)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one?
The InChIKey is AURUMJRLVKYRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-18-11-3-2-9(8-10(11)13)14-4-6-16-7-5-15-12(16)17/h2-3,8,14H,4-7H2,1H3,(H,15,17).
What are the key properties of 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one?
1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one has a molecular weight of 253.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 43380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).