5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione

C16H17N3O2 — CID 5041108

IUPAC5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(=Cc2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C16H17N3O2/c1-3-8-19-15(20)13(17-16(19)21)9-11-10-18(2)14-7-5-4-6-12(11)14/h4-7,9-10H,3,8H2,1-2H3,(H,17,21)
InChIKeyYAAAWPUEADJUCP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds3

About 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione

5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 5041108) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID5041108
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(=Cc2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C16H17N3O2/c1-3-8-19-15(20)13(17-16(19)21)9-11-10-18(2)14-7-5-4-6-12(11)14/h4-7,9-10H,3,8H2,1-2H3,(H,17,21)
InChIKeyYAAAWPUEADJUCP-UHFFFAOYSA-N
XLogP2.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
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

5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44714570
(5E)-5-[(1-ethylindol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5429451
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
CID 156538318
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1306478
(5E)-3-ethyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5497849
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126245593
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione (CID 5041108) is 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)NC(=Cc2cn(C)c3ccccc23)C1=O.
What is the InChIKey of 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is YAAAWPUEADJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-8-19-15(20)13(17-16(19)21)9-11-10-18(2)14-7-5-4-6-12(11)14/h4-7,9-10H,3,8H2,1-2H3,(H,17,21).
What are the key properties of 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione?
5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 5041108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).