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

C21H15BrN2O3 — CID 22777923

IUPAC(5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)N1
InChIInChI=1S/C21H15BrN2O3/c22-17-10-13(11-18-20(25)24-21(26)23-18)8-9-19(17)27-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-11H,12H2,(H2,23,24,25,26)/b18-11-
InChIKeyPQDQINKXJZENLB-WQRHYEAKSA-N
MW423.27 g/mol
LogP4.36
Rot. Bonds4

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

(5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 22777923) has the molecular formula C21H15BrN2O3 and a molecular weight of 423.27 g/mol. Its IUPAC name is (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID22777923
Molecular FormulaC21H15BrN2O3
Molecular Weight423.27 g/mol
Exact Mass422.03
IUPAC Name(5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)N1
InChIInChI=1S/C21H15BrN2O3/c22-17-10-13(11-18-20(25)24-21(26)23-18)8-9-19(17)27-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-11H,12H2,(H2,23,24,25,26)/b18-11-
InChIKeyPQDQINKXJZENLB-WQRHYEAKSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
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

2-[[2-bromo-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 5213831
(5Z)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2283639
(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777680
(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 7326384
(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124532740
(NZ)-N-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6242891
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126053628
5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5098609
5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2880636
2-[(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 126147013
(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(2R)-butan-2-yl]-1,3-thiazolidine-2,4-dione
CID 126020914
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126108554

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione (CID 22777923) is (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)N1.
What is the InChIKey of (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is PQDQINKXJZENLB-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H15BrN2O3/c22-17-10-13(11-18-20(25)24-21(26)23-18)8-9-19(17)27-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-11H,12H2,(H2,23,24,25,26)/b18-11-.
What are the key properties of (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 423.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 22777923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).