(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

C25H18ClN3O2 — CID 44714573

IUPAC(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O2/c26-19-10-12-20(13-11-19)29-24(30)22(27-25(29)31)14-18-16-28(15-17-6-2-1-3-7-17)23-9-5-4-8-21(18)23/h1-14,16H,15H2,(H,27,31)/b22-14+
InChIKeyDQOSNLYPHJJISR-HYARGMPZSA-N
MW427.89 g/mol
LogP5.44
Rot. Bonds4

About (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 44714573) has the molecular formula C25H18ClN3O2 and a molecular weight of 427.89 g/mol. Its IUPAC name is (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID44714573
Molecular FormulaC25H18ClN3O2
Molecular Weight427.89 g/mol
Exact Mass427.11
IUPAC Name(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O2/c26-19-10-12-20(13-11-19)29-24(30)22(27-25(29)31)14-18-16-28(15-17-6-2-1-3-7-17)23-9-5-4-8-21(18)23/h1-14,16H,15H2,(H,27,31)/b22-14+
InChIKeyDQOSNLYPHJJISR-HYARGMPZSA-N
XLogP5.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.89
LogP ≤ 55.44
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-(4-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126252642
5-[(1-benzylindol-3-yl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 3819248
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
(5E)-5-[[1-[(3-nitrophenyl)methyl]indol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 2584504
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1329322
1-(4-bromophenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3748121
(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1021155
(5E)-3-(3-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44713962
5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 978599
1-(4-chlorophenyl)-5-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3420783
(5Z)-1-(4-butan-2-ylphenyl)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6394591
(5E)-1-(4-chlorophenyl)-5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1363624

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 44714573) is (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is DQOSNLYPHJJISR-HYARGMPZSA-N. The full InChI is InChI=1S/C25H18ClN3O2/c26-19-10-12-20(13-11-19)29-24(30)22(27-25(29)31)14-18-16-28(15-17-6-2-1-3-7-17)23-9-5-4-8-21(18)23/h1-14,16H,15H2,(H,27,31)/b22-14+.
What are the key properties of (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 427.89 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1-benzylindol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 44714573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).