bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole

C102H92N8O4 — CID 159836234

About bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole

bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole (PubChem CID 159836234) has the molecular formula C102H92N8O4 and a molecular weight of 1493.91 g/mol. Its IUPAC name is bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole.

Molecular Properties

• Compound Name: bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
• PubChem CID: 159836234
• Molecular Formula: C102H92N8O4
• Molecular Weight: 1493.91 g/mol
• Exact Mass: 1492.72
• IUPAC Name: bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
• SMILES: Cc1cc(C)cc(N2c3ccccc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1.Cc1ccc2c(oc3ccccc32)c1N1c2ccccc2N(C)[C@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2ccccc2N(C)[C@H]1C.Cc1cccc(C)c1N1c2ccccc2N(c2c(C)ccc3c2oc2ccccc23)[C@@H]1C
• InChI: InChI=1S/2C29H26N2O.2C22H20N2O/c1-18-10-9-11-19(2)27(18)30-21(4)31(25-14-7-6-13-24(25)30)28-20(3)16-17-23-22-12-5-8-15-26(22)32-29(23)28;1-18-15-19(2)17-22(16-18)30-21(4)31(26-11-7-6-10-25(26)30)28-20(3)13-14-24-23-9-5-8-12-27(23)32-29(24)28;2*1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)24/h2*5-17,21H,1-4H3;2*4-13,15H,1-3H3/t2*21-;2*15-/m1111/s1
• InChIKey: NOCMYCRRMSANOE-JVBNUYRGSA-N
• XLogP: 27.95
• TPSA: 78.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.91
LogP ≤ 5	27.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?

The IUPAC name of bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole (CID 159836234) is bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole.

What is the SMILES notation for bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?

The canonical SMILES for bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole is Cc1cc(C)cc(N2c3ccccc3N(c3c(C)ccc4c3oc3ccccc34)[C@@H]2C)c1.Cc1ccc2c(oc3ccccc32)c1N1c2ccccc2N(C)[C@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2ccccc2N(C)[C@H]1C.Cc1cccc(C)c1N1c2ccccc2N(c2c(C)ccc3c2oc2ccccc23)[C@@H]1C.

What is the InChIKey of bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?

The InChIKey is NOCMYCRRMSANOE-JVBNUYRGSA-N. The full InChI is InChI=1S/2C29H26N2O.2C22H20N2O/c1-18-10-9-11-19(2)27(18)30-21(4)31(25-14-7-6-13-24(25)30)28-20(3)16-17-23-22-12-5-8-15-26(22)32-29(23)28;1-18-15-19(2)17-22(16-18)30-21(4)31(26-11-7-6-10-25(26)30)28-20(3)13-14-24-23-9-5-8-12-27(23)32-29(24)28;2*1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)24/h2*5-17,21H,1-4H3;2*4-13,15H,1-3H3/t2*21-;2*15-/m1111/s1.

What are the key properties of bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole?

bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole has a molecular weight of 1493.91 g/mol, XLogP of 27.95, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole is sourced from PubChem (CID 159836234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).