2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine

C17H13BrN2O — CID 90273635

IUPAC2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine
SMILESCc1ccc2c(c1)OCn1c-2nc(Br)c1-c1ccccc1
InChIInChI=1S/C17H13BrN2O/c1-11-7-8-13-14(9-11)21-10-20-15(16(18)19-17(13)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyMVJLQESNEXTESM-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.64
Rot. Bonds1

About 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine

2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine (PubChem CID 90273635) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine
PubChem CID90273635
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine
SMILESCc1ccc2c(c1)OCn1c-2nc(Br)c1-c1ccccc1
InChIInChI=1S/C17H13BrN2O/c1-11-7-8-13-14(9-11)21-10-20-15(16(18)19-17(13)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyMVJLQESNEXTESM-UHFFFAOYSA-N
XLogP4.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
The IUPAC name of 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine (CID 90273635) is 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine.
What is the SMILES notation for 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
The canonical SMILES for 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine is Cc1ccc2c(c1)OCn1c-2nc(Br)c1-c1ccccc1.
What is the InChIKey of 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
The InChIKey is MVJLQESNEXTESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-7-8-13-14(9-11)21-10-20-15(16(18)19-17(13)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine has a molecular weight of 341.21 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 90273635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).