5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine

C69H78N12 — CID 162296591

About 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine

5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine (PubChem CID 162296591) has the molecular formula C69H78N12 and a molecular weight of 1075.47 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
• PubChem CID: 162296591
• Molecular Formula: C69H78N12
• Molecular Weight: 1075.47 g/mol
• Exact Mass: 1074.65
• IUPAC Name: 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
• SMILES: Cc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)C1C.Cc1ccccc1N1c2cccnc2N(C)C1C.Cc1ccccc1N1c2ncccc2N(C)C1C.Cc1ccccc1N1c2nccnc2N(C)C1C
• InChI: InChI=1S/C25H28N2.2C15H17N3.C14H16N4/c1-18-11-9-10-14-22(18)27-19(2)26(21-12-7-6-8-13-21)23-16-15-20(17-24(23)27)25(3,4)5;1-11-7-4-5-8-13(11)18-12(2)17(3)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13/h6-17,19H,1-5H3;2*4-10,12H,1-3H3;4-9,11H,1-3H3
• InChIKey: WMGOSITVOZXDTM-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 77.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.47
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?

The IUPAC name of 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine (CID 162296591) is 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?

The canonical SMILES for 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine is Cc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)C1C.Cc1ccccc1N1c2cccnc2N(C)C1C.Cc1ccccc1N1c2ncccc2N(C)C1C.Cc1ccccc1N1c2nccnc2N(C)C1C.

What is the InChIKey of 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?

The InChIKey is WMGOSITVOZXDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2.2C15H17N3.C14H16N4/c1-18-11-9-10-14-22(18)27-19(2)26(21-12-7-6-8-13-21)23-16-15-20(17-24(23)27)25(3,4)5;1-11-7-4-5-8-13(11)18-12(2)17(3)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13/h6-17,19H,1-5H3;2*4-10,12H,1-3H3;4-9,11H,1-3H3.

What are the key properties of 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine?

5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine has a molecular weight of 1075.47 g/mol, XLogP of 16.30, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162296591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).