1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one

C14H17FN2O2 — CID 87852936

IUPAC1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
SMILESCC1(CN2CCN(Cc3ccc(F)cc3)C2=O)CO1
InChIInChI=1S/C14H17FN2O2/c1-14(10-19-14)9-17-7-6-16(13(17)18)8-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyXTWZKKLWYKJPQJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.85
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one (PubChem CID 87852936) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
PubChem CID87852936
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
SMILESCC1(CN2CCN(Cc3ccc(F)cc3)C2=O)CO1
InChIInChI=1S/C14H17FN2O2/c1-14(10-19-14)9-17-7-6-16(13(17)18)8-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyXTWZKKLWYKJPQJ-UHFFFAOYSA-N
XLogP1.85
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-[3-(2-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767595
US10738015, Example SC-37
CID 137407637
1-(2-Fluorobenzyl)-3,3-dimethyl-1-(2-morpholinoethyl)urea
CID 3723924
1-(2-Methoxyethyl)-4-phenylimidazolidin-2-one
CID 12803423
1-[(2-Fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidin-2-one
CID 15994326
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 122174916
Ethyl 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 10686224
methyl N-[(4-fluorophenyl)methyl]-N-(oxiran-2-ylmethyl)carbamate
CID 18933303
ethyl N-[(4-fluorophenyl)methyl]-N-(oxiran-2-ylmethyl)carbamate
CID 18933409
(4-Fluorophenyl)methyl-[(2-methyloxiran-2-yl)methyl]carbamic acid
CID 87851241
1-[(3,4-Difluorophenyl)methyl]-3-methylimidazolidin-2-one
CID 141068012
[(2S)-1,1,1-trifluoropropan-2-yl] 3-benzylimidazolidine-1-carboxylate
CID 144060372

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one (CID 87852936) is 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one is CC1(CN2CCN(Cc3ccc(F)cc3)C2=O)CO1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
The InChIKey is XTWZKKLWYKJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(10-19-14)9-17-7-6-16(13(17)18)8-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 87852936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).