2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane

C103H129ClN16O13 — CID 159826912

About 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane

2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane (PubChem CID 159826912) has the molecular formula C103H129ClN16O13 and a molecular weight of 1834.72 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane.

Molecular Properties

• Compound Name: 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane
• PubChem CID: 159826912
• Molecular Formula: C103H129ClN16O13
• Molecular Weight: 1834.72 g/mol
• Exact Mass: 1832.96
• IUPAC Name: 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane
• SMILES: C1CCOC1.CC1(C)OCC(CN)O1.Cc1cc(C)c2nc(Cl)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1.Cc1cc(C)c2nc(NCC(O)CO)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NCC3COC(C)(C)O3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NCC3COC(C)(C)O3)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1
• InChI: InChI=1S/C29H34N4O3.C23H22ClN3O.C22H28N4O3.C19H24N4O3.C6H13NO2.C4H8O/c1-19-13-20(2)27-25(14-19)33(28(32-27)30-15-23-18-35-29(4,5)36-23)16-24-26(12-11-21(3)31-24)34-17-22-9-7-6-8-10-22;1-15-11-16(2)22-20(12-15)27(23(24)26-22)13-19-21(10-9-17(3)25-19)28-14-18-7-5-4-6-8-18;1-13-8-14(2)20-18(9-13)26(11-17-19(27)7-6-15(3)24-17)21(25-20)23-10-16-12-28-22(4,5)29-16;1-11-6-12(2)18-16(7-11)23(19(22-18)20-8-14(25)10-24)9-15-17(26)5-4-13(3)21-15;1-6(2)8-4-5(3-7)9-6;1-2-4-5-3-1/h6-14,23H,15-18H2,1-5H3,(H,30,32);4-12H,13-14H2,1-3H3;6-9,16,27H,10-12H2,1-5H3,(H,23,25);4-7,14,24-26H,8-10H2,1-3H3,(H,20,22);5H,3-4,7H2,1-2H3;1-4H2
• InChIKey: NMYNBPIAOCJFAD-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 348.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1834.72
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane?

The IUPAC name of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane (CID 159826912) is 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane.

What is the SMILES notation for 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane?

The canonical SMILES for 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane is C1CCOC1.CC1(C)OCC(CN)O1.Cc1cc(C)c2nc(Cl)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1.Cc1cc(C)c2nc(NCC(O)CO)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NCC3COC(C)(C)O3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NCC3COC(C)(C)O3)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1.

What is the InChIKey of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane?

The InChIKey is NMYNBPIAOCJFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3.C23H22ClN3O.C22H28N4O3.C19H24N4O3.C6H13NO2.C4H8O/c1-19-13-20(2)27-25(14-19)33(28(32-27)30-15-23-18-35-29(4,5)36-23)16-24-26(12-11-21(3)31-24)34-17-22-9-7-6-8-10-22;1-15-11-16(2)22-20(12-15)27(23(24)26-22)13-19-21(10-9-17(3)25-19)28-14-18-7-5-4-6-8-18;1-13-8-14(2)20-18(9-13)26(11-17-19(27)7-6-15(3)24-17)21(25-20)23-10-16-12-28-22(4,5)29-16;1-11-6-12(2)18-16(7-11)23(19(22-18)20-8-14(25)10-24)9-15-17(26)5-4-13(3)21-15;1-6(2)8-4-5(3-7)9-6;1-2-4-5-3-1/h6-14,23H,15-18H2,1-5H3,(H,30,32);4-12H,13-14H2,1-3H3;6-9,16,27H,10-12H2,1-5H3,(H,23,25);4-7,14,24-26H,8-10H2,1-3H3,(H,20,22);5H,3-4,7H2,1-2H3;1-4H2.

What are the key properties of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane?

2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane has a molecular weight of 1834.72 g/mol, XLogP of 17.63, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-amine;3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propane-1,2-diol;oxolane is sourced from PubChem (CID 159826912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).