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

C21H16N4O — CID 21238883

IUPAC4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
SMILESO=c1nc2ccccc2nc(-c2ccccc2)c1NNc1ccccc1
InChIInChI=1S/C21H16N4O/c26-21-20(25-24-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)23-21/h1-14,24H,(H,23,25,26)
InChIKeyPVJZUYLVPNAOTI-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.10
Rot. Bonds4

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

4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one (PubChem CID 21238883) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
PubChem CID21238883
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
SMILESO=c1nc2ccccc2nc(-c2ccccc2)c1NNc1ccccc1
InChIInChI=1S/C21H16N4O/c26-21-20(25-24-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)23-21/h1-14,24H,(H,23,25,26)
InChIKeyPVJZUYLVPNAOTI-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
CID 2303746
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
5-anilino-4,6-diphenyl-1H-pyrimidin-2-one
CID 134912807
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
5-phenyl-3-propyl-1,4-benzodiazepin-2-one
CID 91051065
N-phenyl-4-[4-(N-[4-(3-phenylquinoxalin-2-yl)phenyl]anilino)phenyl]aniline
CID 70898532
3-phenylquinoxaline-2-sulfonic acid
CID 21486120
3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one
CID 154166770
5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione
CID 629442
N-(2,3-diphenylquinoxalin-6-yl)ethanesulfonamide
CID 71295981

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
The IUPAC name of 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one (CID 21238883) is 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one is O=c1nc2ccccc2nc(-c2ccccc2)c1NNc1ccccc1.
What is the InChIKey of 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
The InChIKey is PVJZUYLVPNAOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21-20(25-24-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)23-21/h1-14,24H,(H,23,25,26).
What are the key properties of 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one has a molecular weight of 340.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one is sourced from PubChem (CID 21238883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).