5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione

C11H10BrN5O2 — CID 101483266

IUPAC5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3=NCCN3)c(Br)c2[nH]c1=O
InChIInChI=1S/C11H10BrN5O2/c12-7-5(16-11-13-3-4-14-11)1-2-6-8(7)17-10(19)9(18)15-6/h1-2H,3-4H2,(H,15,18)(H,17,19)(H2,13,14,16)
InChIKeyHCKOHBASICGZOR-UHFFFAOYSA-N
MW324.14 g/mol
LogP0.35
Rot. Bonds1

About 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione

5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 101483266) has the molecular formula C11H10BrN5O2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID101483266
Molecular FormulaC11H10BrN5O2
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3=NCCN3)c(Br)c2[nH]c1=O
InChIInChI=1S/C11H10BrN5O2/c12-7-5(16-11-13-3-4-14-11)1-2-6-8(7)17-10(19)9(18)15-6/h1-2H,3-4H2,(H,15,18)(H,17,19)(H2,13,14,16)
InChIKeyHCKOHBASICGZOR-UHFFFAOYSA-N
XLogP0.35
TPSA102.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione (CID 101483266) is 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(NC3=NCCN3)c(Br)c2[nH]c1=O.
What is the InChIKey of 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is HCKOHBASICGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2/c12-7-5(16-11-13-3-4-14-11)1-2-6-8(7)17-10(19)9(18)15-6/h1-2H,3-4H2,(H,15,18)(H,17,19)(H2,13,14,16).
What are the key properties of 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 324.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 101483266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).