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

C24H17N7O2 — CID 134461318

IUPAC3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C24H17N7O2/c32-22-21(28-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)27-22)29-24-31-30-23(33-24)15-10-11-18-19(12-15)26-13-25-18/h1-13,21H,(H,25,26)(H,27,32)(H,29,31)
InChIKeyMWSMOFDMSYGSJG-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.84
Rot. Bonds4

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

3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461318) has the molecular formula C24H17N7O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461318
Molecular FormulaC24H17N7O2
Molecular Weight435.45 g/mol
Exact Mass435.14
IUPAC Name3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C24H17N7O2/c32-22-21(28-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)27-22)29-24-31-30-23(33-24)15-10-11-18-19(12-15)26-13-25-18/h1-13,21H,(H,25,26)(H,27,32)(H,29,31)
InChIKeyMWSMOFDMSYGSJG-UHFFFAOYSA-N
XLogP3.84
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461318) is 3-[[5-(3H-benzimidazol-5-yl)-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-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is MWSMOFDMSYGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O2/c32-22-21(28-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)27-22)29-24-31-30-23(33-24)15-10-11-18-19(12-15)26-13-25-18/h1-13,21H,(H,25,26)(H,27,32)(H,29,31).
What are the key properties of 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 435.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).