2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine

C18H15BrN2O2 — CID 90273637

IUPAC2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine
SMILESCOc1cc(C)cc2c1-c1nc(Br)c(-c3ccccc3)n1CO2
InChIInChI=1S/C18H15BrN2O2/c1-11-8-13(22-2)15-14(9-11)23-10-21-16(17(19)20-18(15)21)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyAZXHBUCIBOTCLJ-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.65
Rot. Bonds2

About 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine

2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine (PubChem CID 90273637) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine
PubChem CID90273637
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine
SMILESCOc1cc(C)cc2c1-c1nc(Br)c(-c3ccccc3)n1CO2
InChIInChI=1S/C18H15BrN2O2/c1-11-8-13(22-2)15-14(9-11)23-10-21-16(17(19)20-18(15)21)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyAZXHBUCIBOTCLJ-UHFFFAOYSA-N
XLogP4.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
The IUPAC name of 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine (CID 90273637) is 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine.
What is the SMILES notation for 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
The canonical SMILES for 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine is COc1cc(C)cc2c1-c1nc(Br)c(-c3ccccc3)n1CO2.
What is the InChIKey of 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
The InChIKey is AZXHBUCIBOTCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-11-8-13(22-2)15-14(9-11)23-10-21-16(17(19)20-18(15)21)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine?
2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine has a molecular weight of 371.23 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10-methoxy-8-methyl-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 90273637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).