3-benzyl-2-phenylimino-1,3-benzoxazin-4-one

C21H16N2O2 — CID 14867409

IUPAC3-benzyl-2-phenylimino-1,3-benzoxazin-4-one
SMILESO=c1c2ccccc2o/c(=N\c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C21H16N2O2/c24-20-18-13-7-8-14-19(18)25-21(22-17-11-5-2-6-12-17)23(20)15-16-9-3-1-4-10-16/h1-14H,15H2/b22-21-
InChIKeyIQUUCTXKAVONQH-DQRAZIAOSA-N
MW328.37 g/mol
LogP3.88
Rot. Bonds3

About 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one

3-benzyl-2-phenylimino-1,3-benzoxazin-4-one (PubChem CID 14867409) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-benzyl-2-phenylimino-1,3-benzoxazin-4-one
PubChem CID14867409
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-benzyl-2-phenylimino-1,3-benzoxazin-4-one
SMILESO=c1c2ccccc2o/c(=N\c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C21H16N2O2/c24-20-18-13-7-8-14-19(18)25-21(22-17-11-5-2-6-12-17)23(20)15-16-9-3-1-4-10-16/h1-14H,15H2/b22-21-
InChIKeyIQUUCTXKAVONQH-DQRAZIAOSA-N
XLogP3.88
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-fluorophenyl)imino-1,3-benzoxazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one?
The IUPAC name of 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one (CID 14867409) is 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one.
What is the SMILES notation for 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one?
The canonical SMILES for 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one is O=c1c2ccccc2o/c(=N\c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one?
The InChIKey is IQUUCTXKAVONQH-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20-18-13-7-8-14-19(18)25-21(22-17-11-5-2-6-12-17)23(20)15-16-9-3-1-4-10-16/h1-14H,15H2/b22-21-.
What are the key properties of 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one?
3-benzyl-2-phenylimino-1,3-benzoxazin-4-one has a molecular weight of 328.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenylimino-1,3-benzoxazin-4-one is sourced from PubChem (CID 14867409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).