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

C15H12ClN5O2 — CID 3062988

IUPAC7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1
InChIInChI=1S/C15H12ClN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3
InChIKeyVLIVRBPDKQJNTJ-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.47
Rot. Bonds1

About 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 3062988) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID3062988
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1
InChIInChI=1S/C15H12ClN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3
InChIKeyVLIVRBPDKQJNTJ-UHFFFAOYSA-N
XLogP2.47
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Sarmazenil
CID 71231
FG 8205
CID 129710
Evt-201
CID 9885841
ethyl 5-benzyl-7-chloro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10023623
Ethyl 14-chloro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 44297362
(7R)-15-ethynyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
CID 10617496
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 13984544
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 13987116
8-chloro-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 13987117
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 13987118
7-chloro-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 13987119
5-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 13987122

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 3062988) is 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1.
What is the InChIKey of 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is VLIVRBPDKQJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 329.75 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 3062988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).