(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C22H26N4O3 — CID 7939348

IUPAC(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=N\N2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C22H26N4O3/c1-5-25(6-2)18-11-7-16(8-12-18)15-23-26-20(27)22(3,24-21(26)28)17-9-13-19(29-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,24,28)/b23-15-/t22-/m1/s1
InChIKeyHLCWXMQQZICVLA-IQDKPADRSA-N
MW394.48 g/mol
LogP3.34
Rot. Bonds7

About (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7939348) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID7939348
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=N\N2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C22H26N4O3/c1-5-25(6-2)18-11-7-16(8-12-18)15-23-26-20(27)22(3,24-21(26)28)17-9-13-19(29-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,24,28)/b23-15-/t22-/m1/s1
InChIKeyHLCWXMQQZICVLA-IQDKPADRSA-N
XLogP3.34
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.34
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-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260939
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260846
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 8003972
(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260859
(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260972
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
(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 (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 7939348) is (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is CCN(CC)c1ccc(/C=N\N2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is HLCWXMQQZICVLA-IQDKPADRSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-5-25(6-2)18-11-7-16(8-12-18)15-23-26-20(27)22(3,24-21(26)28)17-9-13-19(29-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,24,28)/b23-15-/t22-/m1/s1.
What are the key properties of (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 394.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7939348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).