1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one

C12H16FN3O2 — CID 114415672

IUPAC1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
SMILESCc1cc(OCCN2CCNC2=O)c(F)cc1N
InChIInChI=1S/C12H16FN3O2/c1-8-6-11(9(13)7-10(8)14)18-5-4-16-3-2-15-12(16)17/h6-7H,2-5,14H2,1H3,(H,15,17)
InChIKeyRFZDCJPWMAVZBY-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one

1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one (PubChem CID 114415672) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
PubChem CID114415672
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
SMILESCc1cc(OCCN2CCNC2=O)c(F)cc1N
InChIInChI=1S/C12H16FN3O2/c1-8-6-11(9(13)7-10(8)14)18-5-4-16-3-2-15-12(16)17/h6-7H,2-5,14H2,1H3,(H,15,17)
InChIKeyRFZDCJPWMAVZBY-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47079026
N-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-oxopiperazine-1-carboxamide
CID 53605174
1-(2-(4-Amino-3-methylphenoxy)ethyl)imidazolidin-2-one
CID 28374112
3-(4-Amino-3-methylphenoxy)-1-methylpyrrolidin-2-one
CID 64266194
N-(2,4-difluorobenzyl)-2-(3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl)acetamide
CID 49710078
N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]morpholine-4-carboxamide
CID 56824525
N'-[4-(difluoromethoxy)-2-methylphenyl]-N-[2-(dimethylamino)ethyl]-N-ethylurea
CID 74242462
1-[4-(Difluoromethoxy)-2-methylphenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 168453123
4-(2-(Dimethylamino)ethoxy)-2-(trifluoromethyl)aniline
CID 45075277
N-(4-fluorophenyl)-5-[4-[methyl(prop-2-enyl)amino]butoxy]-2,3-dihydroindole-1-carboxamide
CID 69766236
1-[4-[(1,6-dimethoxy-2H-quinolin-4-yl)oxy]-3-fluorophenyl]imidazolidin-2-one
CID 130421938
tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate
CID 134181261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one (CID 114415672) is 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one is Cc1cc(OCCN2CCNC2=O)c(F)cc1N.
What is the InChIKey of 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
The InChIKey is RFZDCJPWMAVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8-6-11(9(13)7-10(8)14)18-5-4-16-3-2-15-12(16)17/h6-7H,2-5,14H2,1H3,(H,15,17).
What are the key properties of 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one?
1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one has a molecular weight of 253.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 114415672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).