9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine

C10H7BrN2O — CID 70854741

IUPAC9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine
SMILESBrc1ccc2c(c1)-c1nccn1CO2
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-9-8(5-7)10-12-3-4-13(10)6-14-9/h1-5H,6H2
InChIKeyYFCHZDNOSNRBOB-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.66
Rot. Bonds

About 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine

9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine (PubChem CID 70854741) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine
PubChem CID70854741
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine
SMILESBrc1ccc2c(c1)-c1nccn1CO2
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-9-8(5-7)10-12-3-4-13(10)6-14-9/h1-5H,6H2
InChIKeyYFCHZDNOSNRBOB-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine?
The IUPAC name of 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine (CID 70854741) is 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine.
What is the SMILES notation for 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine?
The canonical SMILES for 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine is Brc1ccc2c(c1)-c1nccn1CO2.
What is the InChIKey of 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine?
The InChIKey is YFCHZDNOSNRBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-7-1-2-9-8(5-7)10-12-3-4-13(10)6-14-9/h1-5H,6H2.
What are the key properties of 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine?
9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine has a molecular weight of 251.08 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5H-imidazo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 70854741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).