3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole

C20H13Cl2N5O — CID 14590489

IUPAC3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C20H13Cl2N5O/c1-11-25-20(26-28-11)19-17-9-23-18(13-4-2-3-5-15(13)22)14-8-12(21)6-7-16(14)27(17)10-24-19/h2-8,10H,9H2,1H3
InChIKeyLVGABCAIMLJLMP-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.89
Rot. Bonds2

About 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole

3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 14590489) has the molecular formula C20H13Cl2N5O and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID14590489
Molecular FormulaC20H13Cl2N5O
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C20H13Cl2N5O/c1-11-25-20(26-28-11)19-17-9-23-18(13-4-2-3-5-15(13)22)14-8-12(21)6-7-16(14)27(17)10-24-19/h2-8,10H,9H2,1H3
InChIKeyLVGABCAIMLJLMP-UHFFFAOYSA-N
XLogP4.89
TPSA69.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole (CID 14590489) is 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is LVGABCAIMLJLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N5O/c1-11-25-20(26-28-11)19-17-9-23-18(13-4-2-3-5-15(13)22)14-8-12(21)6-7-16(14)27(17)10-24-19/h2-8,10H,9H2,1H3.
What are the key properties of 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole?
3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 410.26 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 14590489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).