(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C25H24N4O2 — CID 9045219

IUPAC(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(/N=C\c2ccc(Nc3ccccc3)cc2)C1=O
InChIInChI=1S/C25H24N4O2/c1-25(17-16-19-8-4-2-5-9-19)23(30)29(24(31)28-25)26-18-20-12-14-22(15-13-20)27-21-10-6-3-7-11-21/h2-15,18,27H,16-17H2,1H3,(H,28,31)/b26-18-/t25-/m0/s1
InChIKeyJNTNKGSEJMZEDM-BIAHXVBSSA-N
MW412.49 g/mol
LogP4.71
Rot. Bonds7

About (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 9045219) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID9045219
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(/N=C\c2ccc(Nc3ccccc3)cc2)C1=O
InChIInChI=1S/C25H24N4O2/c1-25(17-16-19-8-4-2-5-9-19)23(30)29(24(31)28-25)26-18-20-12-14-22(15-13-20)27-21-10-6-3-7-11-21/h2-15,18,27H,16-17H2,1H3,(H,28,31)/b26-18-/t25-/m0/s1
InChIKeyJNTNKGSEJMZEDM-BIAHXVBSSA-N
XLogP4.71
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-(2-phenylethyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9349777
2-[4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]phenoxy]acetonitrile
CID 9349998
(5R)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349951
(5S)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349946
(5R)-3-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349922
(5S)-3-[(Z)-(3-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349778
(5R)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349955
(5S)-5-methyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349665
(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349902
(5S)-5-methyl-3-[(Z)-(2-nitrophenyl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349708
(5S)-3-[(Z)-(2,3-dichlorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349724
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349691

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 9045219) is (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@@]1(CCc2ccccc2)NC(=O)N(/N=C\c2ccc(Nc3ccccc3)cc2)C1=O.
What is the InChIKey of (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is JNTNKGSEJMZEDM-BIAHXVBSSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-25(17-16-19-8-4-2-5-9-19)23(30)29(24(31)28-25)26-18-20-12-14-22(15-13-20)27-21-10-6-3-7-11-21/h2-15,18,27H,16-17H2,1H3,(H,28,31)/b26-18-/t25-/m0/s1.
What are the key properties of (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9045219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).