(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione

C28H22N2O3 — CID 126213972

IUPAC(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H22N2O3/c31-27-26(29-28(32)30(27)18-20-8-2-1-3-9-20)17-21-10-6-14-24(16-21)33-19-23-13-7-12-22-11-4-5-15-25(22)23/h1-17H,18-19H2,(H,29,32)/b26-17+
InChIKeyZMKOBCWEOKBNLA-YZSQISJMSA-N
MW434.50 g/mol
LogP5.51
Rot. Bonds6

About (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126213972) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126213972
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H22N2O3/c31-27-26(29-28(32)30(27)18-20-8-2-1-3-9-20)17-21-10-6-14-24(16-21)33-19-23-13-7-12-22-11-4-5-15-25(22)23/h1-17H,18-19H2,(H,29,32)/b26-17+
InChIKeyZMKOBCWEOKBNLA-YZSQISJMSA-N
XLogP5.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126213334
(5E)-5-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126019780
(5E)-5-[[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126254485
(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1316496
(5Z)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126024001
(5E)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126025086
(5E)-3-(3-chlorophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126078746
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6383605
(5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126244564
2-[[4-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzonitrile
CID 126247596
(5E)-3-benzyl-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126212656
(5E)-3-benzyl-5-[(3-iodo-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126240929

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione (CID 126213972) is (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is ZMKOBCWEOKBNLA-YZSQISJMSA-N. The full InChI is InChI=1S/C28H22N2O3/c31-27-26(29-28(32)30(27)18-20-8-2-1-3-9-20)17-21-10-6-14-24(16-21)33-19-23-13-7-12-22-11-4-5-15-25(22)23/h1-17H,18-19H2,(H,29,32)/b26-17+.
What are the key properties of (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 434.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126213972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).