5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine

C11H16BrN5 — CID 154967794

IUPAC5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine
SMILESBrc1c(NC2NCCN2)ccc2c1NCCN2
InChIInChI=1S/C11H16BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,11,13-17H,3-6H2
InChIKeyNOMVQOZTJBSYLJ-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.17
Rot. Bonds2

About 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine

5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine (PubChem CID 154967794) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine
PubChem CID154967794
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC Name5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine
SMILESBrc1c(NC2NCCN2)ccc2c1NCCN2
InChIInChI=1S/C11H16BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,11,13-17H,3-6H2
InChIKeyNOMVQOZTJBSYLJ-UHFFFAOYSA-N
XLogP1.17
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine?
The IUPAC name of 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine (CID 154967794) is 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine.
What is the SMILES notation for 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine?
The canonical SMILES for 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine is Brc1c(NC2NCCN2)ccc2c1NCCN2.
What is the InChIKey of 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine?
The InChIKey is NOMVQOZTJBSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,11,13-17H,3-6H2.
What are the key properties of 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine?
5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine has a molecular weight of 298.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-imidazolidin-2-yl-1,2,3,4-tetrahydroquinoxalin-6-amine is sourced from PubChem (CID 154967794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).