(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine

C81H90N16O2 — CID 160914531

About (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine

(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 160914531) has the molecular formula C81H90N16O2 and a molecular weight of 1319.72 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
• PubChem CID: 160914531
• Molecular Formula: C81H90N16O2
• Molecular Weight: 1319.72 g/mol
• Exact Mass: 1318.74
• IUPAC Name: (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
• SMILES: Cc1ccc2c(oc3ccccc32)c1N1C=CN(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2cncnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncncc2N(C)[C@@H]1C.Cc1cnc2c(n1)N(c1ccccc1C)[C@@H](C)N2C
• InChI: InChI=1S/C20H22N2O.C18H18N2O.C15H18N4.2C14H16N4/c1-13(2)21-11-12-22(15(21)4)19-14(3)9-10-17-16-7-5-6-8-18(16)23-20(17)19;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;1-10-7-5-6-8-13(10)19-12(3)18(4)14-15(19)17-11(2)9-16-14;1-10-6-4-5-7-12(10)18-11(2)17(3)14-13(18)8-15-9-16-14;1-10-6-4-5-7-12(10)18-11(2)17(3)13-8-15-9-16-14(13)18/h5-13,15H,1-4H3;4-11,13H,1-3H3;5-9,12H,1-4H3;2*4-9,11H,1-3H3/t15-;13-;12-;2*11-/m00000/s1
• InChIKey: SRFOKKYRDXWJNF-NJDNBNDFSA-N
• XLogP: 18.17
• TPSA: 136.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.72
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?

The IUPAC name of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine (CID 160914531) is (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine.

What is the SMILES notation for (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?

The canonical SMILES for (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine is Cc1ccc2c(oc3ccccc32)c1N1C=CN(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2cncnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncncc2N(C)[C@@H]1C.Cc1cnc2c(n1)N(c1ccccc1C)[C@@H](C)N2C.

What is the InChIKey of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?

The InChIKey is SRFOKKYRDXWJNF-NJDNBNDFSA-N. The full InChI is InChI=1S/C20H22N2O.C18H18N2O.C15H18N4.2C14H16N4/c1-13(2)21-11-12-22(15(21)4)19-14(3)9-10-17-16-7-5-6-8-18(16)23-20(17)19;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2;1-10-7-5-6-8-13(10)19-12(3)18(4)14-15(19)17-11(2)9-16-14;1-10-6-4-5-7-12(10)18-11(2)17(3)14-13(18)8-15-9-16-14;1-10-6-4-5-7-12(10)18-11(2)17(3)13-8-15-9-16-14(13)18/h5-13,15H,1-4H3;4-11,13H,1-3H3;5-9,12H,1-4H3;2*4-9,11H,1-3H3/t15-;13-;12-;2*11-/m00000/s1.

What are the key properties of (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine?

(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 1319.72 g/mol, XLogP of 18.17, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazole;(2S)-1,2,5-trimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 160914531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).