3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione

C17H20N4O4 — CID 24825247

IUPAC3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione
SMILESCCCN1C(=O)C(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)N(C)C1=O
InChIInChI=1S/C17H20N4O4/c1-3-6-21-16(24)14(20(2)17(21)25)10-7-11(22)13-12(15(10)23)9(4-5-18)8-19-13/h7-8,14,19H,3-6,18H2,1-2H3
InChIKeyKJAQCVGEROAGJG-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.49
Rot. Bonds5

About 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione

3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione (PubChem CID 24825247) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione
PubChem CID24825247
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione
SMILESCCCN1C(=O)C(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)N(C)C1=O
InChIInChI=1S/C17H20N4O4/c1-3-6-21-16(24)14(20(2)17(21)25)10-7-11(22)13-12(15(10)23)9(4-5-18)8-19-13/h7-8,14,19H,3-6,18H2,1-2H3
InChIKeyKJAQCVGEROAGJG-UHFFFAOYSA-N
XLogP0.49
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione?
The IUPAC name of 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione (CID 24825247) is 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione is CCCN1C(=O)C(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)N(C)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione?
The InChIKey is KJAQCVGEROAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-6-21-16(24)14(20(2)17(21)25)10-7-11(22)13-12(15(10)23)9(4-5-18)8-19-13/h7-8,14,19H,3-6,18H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione?
3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione has a molecular weight of 344.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)-1H-indole-4,7-dione is sourced from PubChem (CID 24825247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).