2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one

C22H18N2O2 — CID 132839464

IUPAC2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one
SMILESCOc1ccc(C2=Nc3ccccc3C(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)21-15-24(17-7-3-2-4-8-17)22(25)19-9-5-6-10-20(19)23-21/h2-14H,15H2,1H3
InChIKeyVNEMIUHMEYRJKR-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one

2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one (PubChem CID 132839464) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one
PubChem CID132839464
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one
SMILESCOc1ccc(C2=Nc3ccccc3C(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)21-15-24(17-7-3-2-4-8-17)22(25)19-9-5-6-10-20(19)23-21/h2-14H,15H2,1H3
InChIKeyVNEMIUHMEYRJKR-UHFFFAOYSA-N
XLogP4.48
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-phenyl-3H-1,4-benzodiazepin-5-one
CID 15019683
2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 1490604
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
2-[4-[4-(4-methoxyphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757049
4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
CID 56689852
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
CID 11472785
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one (CID 132839464) is 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one is COc1ccc(C2=Nc3ccccc3C(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one?
The InChIKey is VNEMIUHMEYRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-13-11-16(12-14-18)21-15-24(17-7-3-2-4-8-17)22(25)19-9-5-6-10-20(19)23-21/h2-14H,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one?
2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one has a molecular weight of 342.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-phenyl-3H-1,4-benzodiazepin-5-one is sourced from PubChem (CID 132839464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).