5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine

C11H10BrN5 — CID 19884592

IUPAC5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2cccc3nc(Br)cnc23)N1
InChIInChI=1S/C11H10BrN5/c12-9-5-14-10-6(2-1-3-7(10)16-9)8-4-15-11(13)17-8/h1-3,5,8H,4H2,(H3,13,15,17)
InChIKeyAALVBXIDNRHTRV-UHFFFAOYSA-N
MW292.14 g/mol
LogP1.35
Rot. Bonds1

About 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine

5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 19884592) has the molecular formula C11H10BrN5 and a molecular weight of 292.14 g/mol. Its IUPAC name is 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID19884592
Molecular FormulaC11H10BrN5
Molecular Weight292.14 g/mol
Exact Mass291.01
IUPAC Name5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2cccc3nc(Br)cnc23)N1
InChIInChI=1S/C11H10BrN5/c12-9-5-14-10-6(2-1-3-7(10)16-9)8-4-15-11(13)17-8/h1-3,5,8H,4H2,(H3,13,15,17)
InChIKeyAALVBXIDNRHTRV-UHFFFAOYSA-N
XLogP1.35
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 19884592) is 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(c2cccc3nc(Br)cnc23)N1.
What is the InChIKey of 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is AALVBXIDNRHTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5/c12-9-5-14-10-6(2-1-3-7(10)16-9)8-4-15-11(13)17-8/h1-3,5,8H,4H2,(H3,13,15,17).
What are the key properties of 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine?
5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 292.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoquinoxalin-5-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 19884592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).