(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

C23H28N4O2 — CID 9260859

IUPAC(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCCCN(CCC)c1ccc(/C=N\N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H28N4O2/c1-4-15-26(16-5-2)20-13-11-18(12-14-20)17-24-27-21(28)23(3,25-22(27)29)19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,25,29)/b24-17-/t23-/m0/s1
InChIKeyKUGLTKLSIZGFFI-HBVBNRCBSA-N
MW392.50 g/mol
LogP4.11
Rot. Bonds8

About (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9260859) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID9260859
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCCCN(CCC)c1ccc(/C=N\N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H28N4O2/c1-4-15-26(16-5-2)20-13-11-18(12-14-20)17-24-27-21(28)23(3,25-22(27)29)19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,25,29)/b24-17-/t23-/m0/s1
InChIKeyKUGLTKLSIZGFFI-HBVBNRCBSA-N
XLogP4.11
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
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

(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260846
(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673695
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7939348
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260939
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673713
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
(5R)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]imidazolidine-2,4-dione
CID 8980786

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 9260859) is (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is CCCN(CCC)c1ccc(/C=N\N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is KUGLTKLSIZGFFI-HBVBNRCBSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-15-26(16-5-2)20-13-11-18(12-14-20)17-24-27-21(28)23(3,25-22(27)29)19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,25,29)/b24-17-/t23-/m0/s1.
What are the key properties of (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).