10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

C20H22N6O4 — CID 88988617

IUPAC10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCN3C(=O)CNC3=O)c2cc1C
InChIInChI=1S/C20H22N6O4/c1-11-8-13-14(9-12(11)2)25(17-16(22-13)18(28)24-19(29)23-17)6-4-3-5-7-26-15(27)10-21-20(26)30/h8-9H,3-7,10H2,1-2H3,(H,21,30)(H,24,28,29)
InChIKeyOXRGIFGXEVEXRC-UHFFFAOYSA-N
MW410.43 g/mol
LogP0.92
Rot. Bonds6

About 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 88988617) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID88988617
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCN3C(=O)CNC3=O)c2cc1C
InChIInChI=1S/C20H22N6O4/c1-11-8-13-14(9-12(11)2)25(17-16(22-13)18(28)24-19(29)23-17)6-4-3-5-7-26-15(27)10-21-20(26)30/h8-9H,3-7,10H2,1-2H3,(H,21,30)(H,24,28,29)
InChIKeyOXRGIFGXEVEXRC-UHFFFAOYSA-N
XLogP0.92
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 88988617) is 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCN3C(=O)CNC3=O)c2cc1C.
What is the InChIKey of 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is OXRGIFGXEVEXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-11-8-13-14(9-12(11)2)25(17-16(22-13)18(28)24-19(29)23-17)6-4-3-5-7-26-15(27)10-21-20(26)30/h8-9H,3-7,10H2,1-2H3,(H,21,30)(H,24,28,29).
What are the key properties of 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 410.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 88988617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).