(5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione

C15H10ClF2N3O2 — CID 167966353

IUPAC(5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2cc(Cl)ccc2F)C(=O)N1c1cncc(F)c1
InChIInChI=1S/C15H10ClF2N3O2/c16-9-1-2-12(18)8(3-9)4-13-14(22)21(15(23)20-13)11-5-10(17)6-19-7-11/h1-3,5-7,13H,4H2,(H,20,23)/t13-/m0/s1
InChIKeyMMROTVDTGZNSHR-ZDUSSCGKSA-N
MW337.71 g/mol
LogP2.68
Rot. Bonds3

About (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione

(5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 167966353) has the molecular formula C15H10ClF2N3O2 and a molecular weight of 337.71 g/mol. Its IUPAC name is (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
PubChem CID167966353
Molecular FormulaC15H10ClF2N3O2
Molecular Weight337.71 g/mol
Exact Mass337.04
IUPAC Name(5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2cc(Cl)ccc2F)C(=O)N1c1cncc(F)c1
InChIInChI=1S/C15H10ClF2N3O2/c16-9-1-2-12(18)8(3-9)4-13-14(22)21(15(23)20-13)11-5-10(17)6-19-7-11/h1-3,5-7,13H,4H2,(H,20,23)/t13-/m0/s1
InChIKeyMMROTVDTGZNSHR-ZDUSSCGKSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione (CID 167966353) is (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione is O=C1N[C@@H](Cc2cc(Cl)ccc2F)C(=O)N1c1cncc(F)c1.
What is the InChIKey of (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is MMROTVDTGZNSHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2/c16-9-1-2-12(18)8(3-9)4-13-14(22)21(15(23)20-13)11-5-10(17)6-19-7-11/h1-3,5-7,13H,4H2,(H,20,23)/t13-/m0/s1.
What are the key properties of (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione?
(5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 337.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-chloro-2-fluorophenyl)methyl]-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 167966353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).