(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

C22H21N3O2 — CID 44714570

IUPAC(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O
InChIInChI=1S/C22H21N3O2/c1-3-25-21(26)19(23-22(25)27)12-17-14-24(20-10-5-4-9-18(17)20)13-16-8-6-7-15(2)11-16/h4-12,14H,3,13H2,1-2H3,(H,23,27)/b19-12+
InChIKeyRMBKQSWLPPTDGA-XDHOZWIPSA-N
MW359.43 g/mol
LogP3.91
Rot. Bonds4

About (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 44714570) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
PubChem CID44714570
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O
InChIInChI=1S/C22H21N3O2/c1-3-25-21(26)19(23-22(25)27)12-17-14-24(20-10-5-4-9-18(17)20)13-16-8-6-7-15(2)11-16/h4-12,14H,3,13H2,1-2H3,(H,23,27)/b19-12+
InChIKeyRMBKQSWLPPTDGA-XDHOZWIPSA-N
XLogP3.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.91
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-[(1-ethylindol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5429451
(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126235278
(5E)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126251094
3-[(4-fluorophenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1322775
(5E)-3-methyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126197044
(5E)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126258604
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
1-benzyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1329245
(5E)-5-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237508
N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 44713993
(5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126244564
2-[3-[(Z)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 22306749

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione (CID 44714570) is (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is RMBKQSWLPPTDGA-XDHOZWIPSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-25-21(26)19(23-22(25)27)12-17-14-24(20-10-5-4-9-18(17)20)13-16-8-6-7-15(2)11-16/h4-12,14H,3,13H2,1-2H3,(H,23,27)/b19-12+.
What are the key properties of (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 44714570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).