5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C21H17N5O2 — CID 10044720

IUPAC5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1nnc(-c2ncn3c2CN(Cc2ccccc2)C(=O)c2ccccc2-3)o1
InChIInChI=1S/C21H17N5O2/c1-14-23-24-20(28-14)19-18-12-25(11-15-7-3-2-4-8-15)21(27)16-9-5-6-10-17(16)26(18)13-22-19/h2-10,13H,11-12H2,1H3
InChIKeyHJADNZGALHQVHI-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.39
Rot. Bonds3

About 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10044720) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10044720
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1nnc(-c2ncn3c2CN(Cc2ccccc2)C(=O)c2ccccc2-3)o1
InChIInChI=1S/C21H17N5O2/c1-14-23-24-20(28-14)19-18-12-25(11-15-7-3-2-4-8-15)21(27)16-9-5-6-10-17(16)26(18)13-22-19/h2-10,13H,11-12H2,1H3
InChIKeyHJADNZGALHQVHI-UHFFFAOYSA-N
XLogP3.39
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Flumazenil
CID 3373
ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 5081
Iomazenil
CID 10251042
Ro 14-7437
CID 127597
3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 5255267
3-({12-Ethyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)propyl 12-ethyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate
CID 15951053
tert-butyl 8-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10365897
Ethyl (7S)-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 10041121
Ethyl 7-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
CID 14590408
Ethyl 2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene-5-carboxylate
CID 20094011
Ethyl 15-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylate
CID 20094046
Ethyl 15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylate
CID 20094054

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10044720) is 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1nnc(-c2ncn3c2CN(Cc2ccccc2)C(=O)c2ccccc2-3)o1.
What is the InChIKey of 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is HJADNZGALHQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14-23-24-20(28-14)19-18-12-25(11-15-7-3-2-4-8-15)21(27)16-9-5-6-10-17(16)26(18)13-22-19/h2-10,13H,11-12H2,1H3.
What are the key properties of 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 371.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10044720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).