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

C21H18ClN3O2 — CID 126196210

IUPAC(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-17(11-18-20(26)24(2)21(27)23-18)16-5-3-4-6-19(16)25(13)12-14-7-9-15(22)10-8-14/h3-11H,12H2,1-2H3,(H,23,27)/b18-11+
InChIKeyORFKNRWWDCSWAN-WOJGMQOQSA-N
MW379.85 g/mol
LogP4.17
Rot. Bonds3

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

(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126196210) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126196210
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-17(11-18-20(26)24(2)21(27)23-18)16-5-3-4-6-19(16)25(13)12-14-7-9-15(22)10-8-14/h3-11H,12H2,1-2H3,(H,23,27)/b18-11+
InChIKeyORFKNRWWDCSWAN-WOJGMQOQSA-N
XLogP4.17
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.17
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-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione (CID 126196210) is (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione is Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is ORFKNRWWDCSWAN-WOJGMQOQSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-17(11-18-20(26)24(2)21(27)23-18)16-5-3-4-6-19(16)25(13)12-14-7-9-15(22)10-8-14/h3-11H,12H2,1-2H3,(H,23,27)/b18-11+.
What are the key properties of (5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 379.85 g/mol, XLogP of 4.17, 3 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-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126196210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).