8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

C91H63Cl5F5N15O2 — CID 159488507

IUPAC8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SMILESCc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2C1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)N=C2
InChIInChI=1S/C36H24Cl2F2N6.C19H13ClFN3O2.2C18H13ClFN3/c1-19-41-17-31-35(43-33(23-7-3-5-9-27(23)39)25-15-21(37)11-13-29(25)45(19)31)36-32-18-42-20(2)46(32)30-14-12-22(38)16-26(30)34(44-36)24-8-4-6-10-28(24)40;1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16;2*1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h3-18,35-36H,1-2H3;2-8H,9H2,1H3,(H,25,26);2-9H,10H2,1H3;2-10,18H,1H3
InChIKeyLXWQOFBXZJIAJC-UHFFFAOYSA-N
MW1670.86 g/mol
LogP21.59
Rot. Bonds7

About 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (PubChem CID 159488507) has the molecular formula C91H63Cl5F5N15O2 and a molecular weight of 1670.86 g/mol. Its IUPAC name is 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
PubChem CID159488507
Molecular FormulaC91H63Cl5F5N15O2
Molecular Weight1670.86 g/mol
Exact Mass1667.37
IUPAC Name8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
SMILESCc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2C1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)N=C2
InChIInChI=1S/C36H24Cl2F2N6.C19H13ClFN3O2.2C18H13ClFN3/c1-19-41-17-31-35(43-33(23-7-3-5-9-27(23)39)25-15-21(37)11-13-29(25)45(19)31)36-32-18-42-20(2)46(32)30-14-12-22(38)16-26(30)34(44-36)24-8-4-6-10-28(24)40;1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16;2*1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h3-18,35-36H,1-2H3;2-8H,9H2,1H3,(H,25,26);2-9H,10H2,1H3;2-10,18H,1H3
InChIKeyLXWQOFBXZJIAJC-UHFFFAOYSA-N
XLogP21.59
TPSA188.20 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001670.86
LogP ≤ 521.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid with MolForge

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Related Compounds

4-Chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylpyrazole);bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
CID 161163339
6-[4-[1-[[2-carboxy-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]methyl]pyrrolidin-3-yl]-2-fluorophenyl]-8-chloro-1-(piperidin-1-ylmethyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
CID 176552116
1-[[3-[4-[2-carboxy-8-chloro-1-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a][1,4]benzodiazepin-6-yl]-3-fluorophenyl]azetidin-1-yl]methyl]-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
CID 176552142
8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carboxylic acid;8-chloro-6-(2-fluorophenyl)-4-methyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid;8-chloro-6-(2-methylphenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid
CID 157165687
4-Chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole
CID 158406132
8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-carboxylic acid;8-chloro-6-(2-fluorophenyl)-4-methyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid;8-chloro-6-(2-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-1-carboxylic acid
CID 159134732
1-[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-2-yl]ethanone;8-chloro-6-(2-fluorophenyl)-4-methyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid;1-[8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]pentan-1-one;1-[8-chloro-6-(3-fluoro-2-pyridinyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]ethanone
CID 160277016
(4R)-8-chloro-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl (4R)-8-chloro-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 161002905
5-Chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxylic acid
CID 161796838
8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-carboxylic acid;8-chloro-6-(2-fluorophenyl)-4-methyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid;8-chloro-6-(2-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-1-carboxylic acid;methane
CID 162182520

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The IUPAC name of 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid (CID 159488507) is 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid.
What is the SMILES notation for 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The canonical SMILES for 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid is Cc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2C1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C.Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)N=C2.
What is the InChIKey of 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
The InChIKey is LXWQOFBXZJIAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Cl2F2N6.C19H13ClFN3O2.2C18H13ClFN3/c1-19-41-17-31-35(43-33(23-7-3-5-9-27(23)39)25-15-21(37)11-13-29(25)45(19)31)36-32-18-42-20(2)46(32)30-14-12-22(38)16-26(30)34(44-36)24-8-4-6-10-28(24)40;1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16;2*1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h3-18,35-36H,1-2H3;2-8H,9H2,1H3,(H,25,26);2-9H,10H2,1H3;2-10,18H,1H3.
What are the key properties of 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid?
8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid has a molecular weight of 1670.86 g/mol, XLogP of 21.59, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl]-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-6H-imidazo[1,5-a][1,4]benzodiazepine;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid is sourced from PubChem (CID 159488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).