6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one

C16H11N3O2 — CID 175581377

IUPAC6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one
SMILESCc1ccccc1-c1ccc2nc3[nH]c(=O)nc-3oc2c1
InChIInChI=1S/C16H11N3O2/c1-9-4-2-3-5-11(9)10-6-7-12-13(8-10)21-15-14(17-12)18-16(20)19-15/h2-8H,1H3,(H,17,18,20)
InChIKeyVGHMFULRONVOKB-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.99
Rot. Bonds1

About 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one

6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one (PubChem CID 175581377) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one.

Molecular Properties

Compound Name6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one
PubChem CID175581377
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one
SMILESCc1ccccc1-c1ccc2nc3[nH]c(=O)nc-3oc2c1
InChIInChI=1S/C16H11N3O2/c1-9-4-2-3-5-11(9)10-6-7-12-13(8-10)21-15-14(17-12)18-16(20)19-15/h2-8H,1H3,(H,17,18,20)
InChIKeyVGHMFULRONVOKB-UHFFFAOYSA-N
XLogP2.99
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one?
The IUPAC name of 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one (CID 175581377) is 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one.
What is the SMILES notation for 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one?
The canonical SMILES for 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one is Cc1ccccc1-c1ccc2nc3[nH]c(=O)nc-3oc2c1.
What is the InChIKey of 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one?
The InChIKey is VGHMFULRONVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-9-4-2-3-5-11(9)10-6-7-12-13(8-10)21-15-14(17-12)18-16(20)19-15/h2-8H,1H3,(H,17,18,20).
What are the key properties of 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one?
6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one has a molecular weight of 277.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-1H-imidazo[4,5-b][1,4]benzoxazin-2-one is sourced from PubChem (CID 175581377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).