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

C27H18BrClN2O3 — CID 126235008

IUPAC(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C27H18BrClN2O3/c28-23-14-17(15-24-26(32)31(27(33)30-24)22-10-8-21(29)9-11-22)6-12-25(23)34-16-18-5-7-19-3-1-2-4-20(19)13-18/h1-15H,16H2,(H,30,33)/b24-15+
InChIKeyFOHZLIPFBJCPSY-BUVRLJJBSA-N
MW533.81 g/mol
LogP6.93
Rot. Bonds5

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

(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126235008) has the molecular formula C27H18BrClN2O3 and a molecular weight of 533.81 g/mol. Its IUPAC name is (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID126235008
Molecular FormulaC27H18BrClN2O3
Molecular Weight533.81 g/mol
Exact Mass532.02
IUPAC Name(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C27H18BrClN2O3/c28-23-14-17(15-24-26(32)31(27(33)30-24)22-10-8-21(29)9-11-22)6-12-25(23)34-16-18-5-7-19-3-1-2-4-20(19)13-18/h1-15H,16H2,(H,30,33)/b24-15+
InChIKeyFOHZLIPFBJCPSY-BUVRLJJBSA-N
XLogP6.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.81
LogP ≤ 56.93
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)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126077301
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126194356
(5E)-5-[[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126110024
2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126173692
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126174137
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178845
(5E)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126179428
(5E)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126258494
(5E)-5-[[3-bromo-4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126227610
(5E)-3-(4-chlorophenyl)-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126175010
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126250470
4-[[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodophenoxy]methyl]benzoic acid
CID 126236856

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 126235008) is (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is FOHZLIPFBJCPSY-BUVRLJJBSA-N. The full InChI is InChI=1S/C27H18BrClN2O3/c28-23-14-17(15-24-26(32)31(27(33)30-24)22-10-8-21(29)9-11-22)6-12-25(23)34-16-18-5-7-19-3-1-2-4-20(19)13-18/h1-15H,16H2,(H,30,33)/b24-15+.
What are the key properties of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 533.81 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126235008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).