1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one

C22H18N2O — CID 4259978

IUPAC1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccccc2)=Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-15-20(18-11-5-2-6-12-18)23-19-13-7-8-14-21(19)24(22)16-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyQZZPBHCRLUQNKW-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.74
Rot. Bonds3

About 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one

1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one (PubChem CID 4259978) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one
PubChem CID4259978
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccccc2)=Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-15-20(18-11-5-2-6-12-18)23-19-13-7-8-14-21(19)24(22)16-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyQZZPBHCRLUQNKW-UHFFFAOYSA-N
XLogP4.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one (CID 4259978) is 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one is O=C1CC(c2ccccc2)=Nc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
The InChIKey is QZZPBHCRLUQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22-15-20(18-11-5-2-6-12-18)23-19-13-7-8-14-21(19)24(22)16-17-9-3-1-4-10-17/h1-14H,15-16H2.
What are the key properties of 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one has a molecular weight of 326.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 4259978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).