(2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole

C99H118N16 — CID 157150965

About (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole

(2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole (PubChem CID 157150965) has the molecular formula C99H118N16 and a molecular weight of 1533.15 g/mol. Its IUPAC name is (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole.

Molecular Properties

• Compound Name: (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole
• PubChem CID: 157150965
• Molecular Formula: C99H118N16
• Molecular Weight: 1533.15 g/mol
• Exact Mass: 1531.98
• IUPAC Name: (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole
• SMILES: Cc1ccccc1N1c2cc(C(C)C)ncc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C(C)C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.[2H]C(C)(C)N1c2ccccc2N(c2ccccc2C)[C@H]1C
• InChI: InChI=1S/C18H23N3.2C18H22N2.3C15H17N3/c1-12(2)15-10-17-18(11-19-15)20(5)14(4)21(17)16-9-7-6-8-13(16)3;2*1-13(2)19-15(4)20(16-10-6-5-9-14(16)3)18-12-8-7-11-17(18)19;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;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18/h6-12,14H,1-5H3;2*5-13,15H,1-4H3;3*4-10,12H,1-3H3/t14-;2*15-;3*12-/m000000/s1/i;13D
• InChIKey: ALGDKVJCERXUFZ-FPTIKZSWSA-N
• XLogP: 23.83
• TPSA: 90.44 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1533.15
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole?

The IUPAC name of (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole (CID 157150965) is (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole.

What is the SMILES notation for (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole?

The canonical SMILES for (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole is Cc1ccccc1N1c2cc(C(C)C)ncc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C(C)C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.[2H]C(C)(C)N1c2ccccc2N(c2ccccc2C)[C@H]1C.

What is the InChIKey of (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole?

The InChIKey is ALGDKVJCERXUFZ-FPTIKZSWSA-N. The full InChI is InChI=1S/C18H23N3.2C18H22N2.3C15H17N3/c1-12(2)15-10-17-18(11-19-15)20(5)14(4)21(17)16-9-7-6-8-13(16)3;2*1-13(2)19-15(4)20(16-10-6-5-9-14(16)3)18-12-8-7-11-17(18)19;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;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18/h6-12,14H,1-5H3;2*5-13,15H,1-4H3;3*4-10,12H,1-3H3/t14-;2*15-;3*12-/m000000/s1/i;13D;;;;.

What are the key properties of (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole?

(2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole has a molecular weight of 1533.15 g/mol, XLogP of 23.83, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(2-deuteriopropan-2-yl)-2-methyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-6-propan-2-yl-2H-imidazo[4,5-c]pyridine;(2S)-2-methyl-1-(2-methylphenyl)-3-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 157150965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).