2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one

C23H20N2O2 — CID 22752709

IUPAC2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
SMILESO=C1N(Cc2ccccc2)CC2C(c3ccccc3)Oc3ccccc3N12
InChIInChI=1S/C23H20N2O2/c26-23-24(15-17-9-3-1-4-10-17)16-20-22(18-11-5-2-6-12-18)27-21-14-8-7-13-19(21)25(20)23/h1-14,20,22H,15-16H2
InChIKeyVRKACUBCAFZDRR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.63
Rot. Bonds3

About 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one

2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one (PubChem CID 22752709) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
PubChem CID22752709
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
SMILESO=C1N(Cc2ccccc2)CC2C(c3ccccc3)Oc3ccccc3N12
InChIInChI=1S/C23H20N2O2/c26-23-24(15-17-9-3-1-4-10-17)16-20-22(18-11-5-2-6-12-18)27-21-14-8-7-13-19(21)25(20)23/h1-14,20,22H,15-16H2
InChIKeyVRKACUBCAFZDRR-UHFFFAOYSA-N
XLogP4.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
The IUPAC name of 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one (CID 22752709) is 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one.
What is the SMILES notation for 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
The canonical SMILES for 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one is O=C1N(Cc2ccccc2)CC2C(c3ccccc3)Oc3ccccc3N12.
What is the InChIKey of 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
The InChIKey is VRKACUBCAFZDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23-24(15-17-9-3-1-4-10-17)16-20-22(18-11-5-2-6-12-18)27-21-14-8-7-13-19(21)25(20)23/h1-14,20,22H,15-16H2.
What are the key properties of 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one has a molecular weight of 356.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 22752709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).