(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione

C17H14F2N4O3 — CID 2695924

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccncc2)C1=O
InChIInChI=1S/C17H14F2N4O3/c1-17(12-2-4-13(5-3-12)26-15(18)19)14(24)23(16(25)22-17)21-10-11-6-8-20-9-7-11/h2-10,15H,1H3,(H,22,25)/t17-/m0/s1
InChIKeyWBXIVAODZHIRLT-KRWDZBQOSA-N
MW360.32 g/mol
LogP2.48
Rot. Bonds5

About (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione

(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione (PubChem CID 2695924) has the molecular formula C17H14F2N4O3 and a molecular weight of 360.32 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione
PubChem CID2695924
Molecular FormulaC17H14F2N4O3
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccncc2)C1=O
InChIInChI=1S/C17H14F2N4O3/c1-17(12-2-4-13(5-3-12)26-15(18)19)14(24)23(16(25)22-17)21-10-11-6-8-20-9-7-11/h2-10,15H,1H3,(H,22,25)/t17-/m0/s1
InChIKeyWBXIVAODZHIRLT-KRWDZBQOSA-N
XLogP2.48
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42912687
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695897
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-2-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695896
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
3-[(4-chloro-3-nitrophenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4831250
5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4590732
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-1H-indol-3-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
CID 135730804
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 8003972
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2514881
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4037808

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione (CID 2695924) is (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione is C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccncc2)C1=O.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione?
The InChIKey is WBXIVAODZHIRLT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14F2N4O3/c1-17(12-2-4-13(5-3-12)26-15(18)19)14(24)23(16(25)22-17)21-10-11-6-8-20-9-7-11/h2-10,15H,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione has a molecular weight of 360.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione is sourced from PubChem (CID 2695924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).