3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione

C10H8ClFN2O2 — CID 25052585

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(12)6(7)5-14-9(15)4-13-10(14)16/h1-3H,4-5H2,(H,13,16)
InChIKeyXYCSNSNGUWGQDW-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.53
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione

3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 25052585) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID25052585
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(12)6(7)5-14-9(15)4-13-10(14)16/h1-3H,4-5H2,(H,13,16)
InChIKeyXYCSNSNGUWGQDW-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylimidazolidine-2,4,5-trione
CID 562619
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
3-[(2-Chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2372698
N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2478755
1-[(2-chlorophenyl)methyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 2726677
3-((4-Chlorophenyl)methyl)-2-thioxo-4-imidazolidinone
CID 2726678
3-[(3-Chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726683

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 25052585) is 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XYCSNSNGUWGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-7-2-1-3-8(12)6(7)5-14-9(15)4-13-10(14)16/h1-3H,4-5H2,(H,13,16).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione?
3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 242.64 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 25052585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).