(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione

C15H10F4N4O2 — CID 2054495

IUPAC(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@](Nc2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H10F4N4O2/c16-9-4-6-10(7-5-9)23-12(24)14(15(17,18)19,22-13(23)25)21-11-3-1-2-8-20-11/h1-8H,(H,20,21)(H,22,25)/t14-/m0/s1
InChIKeyRSLSYWOCBPGKBV-AWEZNQCLSA-N
MW354.26 g/mol
LogP2.65
Rot. Bonds3

About (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione

(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 2054495) has the molecular formula C15H10F4N4O2 and a molecular weight of 354.26 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID2054495
Molecular FormulaC15H10F4N4O2
Molecular Weight354.26 g/mol
Exact Mass354.07
IUPAC Name(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@](Nc2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H10F4N4O2/c16-9-4-6-10(7-5-9)23-12(24)14(15(17,18)19,22-13(23)25)21-11-3-1-2-8-20-11/h1-8H,(H,20,21)(H,22,25)/t14-/m0/s1
InChIKeyRSLSYWOCBPGKBV-AWEZNQCLSA-N
XLogP2.65
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 2815600
N-(4-methylphenyl)-N'-2-pyridinylethanediamide
CID 2245812
6-(pyridin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 3244383
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CID 5056435
1-(3-Fluorophenyl)-3-pyridin-2-ylurea
CID 781174
1-{2-[4-(5-Trifluoromethyl-pyridin-2-ylamino)-cyclohexylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10111288
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CID 44560250

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 2054495) is (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1N[C@](Nc2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is RSLSYWOCBPGKBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H10F4N4O2/c16-9-4-6-10(7-5-9)23-12(24)14(15(17,18)19,22-13(23)25)21-11-3-1-2-8-20-11/h1-8H,(H,20,21)(H,22,25)/t14-/m0/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 354.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2054495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).