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

C20H22N4O3 — CID 9260939

IUPAC(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@@]2(C)NC(=O)N(/N=C\c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N4O3/c1-20(15-7-11-17(27-4)12-8-15)18(25)24(19(26)22-20)21-13-14-5-9-16(10-6-14)23(2)3/h5-13H,1-4H3,(H,22,26)/b21-13-/t20-/m1/s1
InChIKeyLCHHCXKUADQWQF-TUNPGAEXSA-N
MW366.42 g/mol
LogP2.56
Rot. Bonds5

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

(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 9260939) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID9260939
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@@]2(C)NC(=O)N(/N=C\c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N4O3/c1-20(15-7-11-17(27-4)12-8-15)18(25)24(19(26)22-20)21-13-14-5-9-16(10-6-14)23(2)3/h5-13H,1-4H3,(H,22,26)/b21-13-/t20-/m1/s1
InChIKeyLCHHCXKUADQWQF-TUNPGAEXSA-N
XLogP2.56
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.56
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-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7939348
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322
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
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
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
(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260859
(5S)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562562
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260846

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 9260939) is (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc([C@@]2(C)NC(=O)N(/N=C\c3ccc(N(C)C)cc3)C2=O)cc1.
What is the InChIKey of (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LCHHCXKUADQWQF-TUNPGAEXSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-20(15-7-11-17(27-4)12-8-15)18(25)24(19(26)22-20)21-13-14-5-9-16(10-6-14)23(2)3/h5-13H,1-4H3,(H,22,26)/b21-13-/t20-/m1/s1.
What are the key properties of (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9260939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).