(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione

C22H20ClN3O2 — CID 2715910

IUPAC(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O
InChIInChI=1S/C22H20ClN3O2/c1-3-25-21(27)19(24-22(25)28)12-18-14(2)26(20-7-5-4-6-17(18)20)13-15-8-10-16(23)11-9-15/h4-12H,3,13H2,1-2H3,(H,24,28)/b19-12+
InChIKeyHBHNMGQRAOXIGC-XDHOZWIPSA-N
MW393.87 g/mol
LogP4.56
Rot. Bonds4

About (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione

(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 2715910) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID2715910
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O
InChIInChI=1S/C22H20ClN3O2/c1-3-25-21(27)19(24-22(25)28)12-18-14(2)26(20-7-5-4-6-17(18)20)13-15-8-10-16(23)11-9-15/h4-12H,3,13H2,1-2H3,(H,24,28)/b19-12+
InChIKeyHBHNMGQRAOXIGC-XDHOZWIPSA-N
XLogP4.56
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_F(8)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione (CID 2715910) is (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O.
What is the InChIKey of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is HBHNMGQRAOXIGC-XDHOZWIPSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-3-25-21(27)19(24-22(25)28)12-18-14(2)26(20-7-5-4-6-17(18)20)13-15-8-10-16(23)11-9-15/h4-12H,3,13H2,1-2H3,(H,24,28)/b19-12+.
What are the key properties of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione?
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 393.87 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 2715910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).