3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C26H19N7O2 — CID 134461157

IUPAC3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C26H19N7O2/c34-24-23(29-22(17-6-2-1-3-7-17)20-8-4-5-9-21(20)28-24)30-26-32-31-25(35-26)18-10-12-19(13-11-18)33-15-14-27-16-33/h1-16,23H,(H,28,34)(H,30,32)
InChIKeyPTEKITWNVTVZAK-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.15
Rot. Bonds5

About 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461157) has the molecular formula C26H19N7O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461157
Molecular FormulaC26H19N7O2
Molecular Weight461.49 g/mol
Exact Mass461.16
IUPAC Name3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C26H19N7O2/c34-24-23(29-22(17-6-2-1-3-7-17)20-8-4-5-9-21(20)28-24)30-26-32-31-25(35-26)18-10-12-19(13-11-18)33-15-14-27-16-33/h1-16,23H,(H,28,34)(H,30,32)
InChIKeyPTEKITWNVTVZAK-UHFFFAOYSA-N
XLogP4.15
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461157) is 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(-n3ccnc3)cc2)o1.
What is the InChIKey of 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is PTEKITWNVTVZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O2/c34-24-23(29-22(17-6-2-1-3-7-17)20-8-4-5-9-21(20)28-24)30-26-32-31-25(35-26)18-10-12-19(13-11-18)33-15-14-27-16-33/h1-16,23H,(H,28,34)(H,30,32).
What are the key properties of 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 461.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-imidazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).