(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

C22H22N2O4 — CID 126201974

IUPAC(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-4-8-17-11-16(13-19(27-2)20(17)28-3)12-18-21(25)24(22(26)23-18)14-15-9-6-5-7-10-15/h4-7,9-13H,1,8,14H2,2-3H3,(H,23,26)/b18-12-
InChIKeyQEAJOVGKZFVDNV-PDGQHHTCSA-N
MW378.43 g/mol
LogP3.53
Rot. Bonds7

About (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126201974) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126201974
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-4-8-17-11-16(13-19(27-2)20(17)28-3)12-18-21(25)24(22(26)23-18)14-15-9-6-5-7-10-15/h4-7,9-13H,1,8,14H2,2-3H3,(H,23,26)/b18-12-
InChIKeyQEAJOVGKZFVDNV-PDGQHHTCSA-N
XLogP3.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 126213188
(5Z)-3-benzyl-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126252247
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126238135
3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3290712
3-[(4-fluorophenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5198062
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126227198
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126256966
(5E)-3-benzyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126207442
N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126235069
(5E)-3-benzyl-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126250873
(5E)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126229691
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (CID 126201974) is (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is C=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is QEAJOVGKZFVDNV-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-8-17-11-16(13-19(27-2)20(17)28-3)12-18-21(25)24(22(26)23-18)14-15-9-6-5-7-10-15/h4-7,9-13H,1,8,14H2,2-3H3,(H,23,26)/b18-12-.
What are the key properties of (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 378.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126201974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).