(5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

C25H23N3O3 — CID 15983733

IUPAC(5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16-
InChIKeyGSYASMWTMWAJJZ-KQWNVCNZSA-N
MW413.48 g/mol
LogP4.64
Rot. Bonds6

About (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

(5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (PubChem CID 15983733) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
PubChem CID15983733
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16-
InChIKeyGSYASMWTMWAJJZ-KQWNVCNZSA-N
XLogP4.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

8-(3-Phenoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 11811722
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CID 3717527
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1-imidazolyl]acetamide
CID 9551446
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843
1-(1-Benzyl-propyl)-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11760541
1-[3-Methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 71625828
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CID 4883620
2-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2920816
N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 9361165
N-Benzyl-N-hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-acetamide
CID 9894184
N-Hydroxycarbamoylmethyl-2-[3-(4-phenoxy-phenyl)-1-(3-phenyl-propyl)-ureido]-N-(4-phenyl-butyl)-acetamide
CID 9895099
(Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983730

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (CID 15983733) is (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is CN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is GSYASMWTMWAJJZ-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16-.
What are the key properties of (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
(5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 413.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(dimethylamino)methyl]phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15983733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).