5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine

C12H12BrN5 — CID 15675860

IUPAC5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine
SMILESCc1cnc2c(Br)c(NC3=NCCN3)ccc2n1
InChIInChI=1S/C12H12BrN5/c1-7-6-16-11-9(17-7)3-2-8(10(11)13)18-12-14-4-5-15-12/h2-3,6H,4-5H2,1H3,(H2,14,15,18)
InChIKeyICROYPJYNVAMQF-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.07
Rot. Bonds1

About 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine (PubChem CID 15675860) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine
PubChem CID15675860
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine
SMILESCc1cnc2c(Br)c(NC3=NCCN3)ccc2n1
InChIInChI=1S/C12H12BrN5/c1-7-6-16-11-9(17-7)3-2-8(10(11)13)18-12-14-4-5-15-12/h2-3,6H,4-5H2,1H3,(H2,14,15,18)
InChIKeyICROYPJYNVAMQF-UHFFFAOYSA-N
XLogP2.07
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine?
The IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine (CID 15675860) is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine.
What is the SMILES notation for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine?
The canonical SMILES for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine is Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1.
What is the InChIKey of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine?
The InChIKey is ICROYPJYNVAMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5/c1-7-6-16-11-9(17-7)3-2-8(10(11)13)18-12-14-4-5-15-12/h2-3,6H,4-5H2,1H3,(H2,14,15,18).
What are the key properties of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine?
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine has a molecular weight of 306.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine is sourced from PubChem (CID 15675860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).