2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane

C131H167Cl2N23O28 — CID 159793924

About 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane

2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane (PubChem CID 159793924) has the molecular formula C131H167Cl2N23O28 and a molecular weight of 2582.82 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane.

Molecular Properties

• Compound Name: 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane
• PubChem CID: 159793924
• Molecular Formula: C131H167Cl2N23O28
• Molecular Weight: 2582.82 g/mol
• Exact Mass: 2580.17
• IUPAC Name: 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane
• SMILES: C1CCOC1.CC1(C)OCC(CN)O1.CCOC(=O)c1ccc2c(c1)nc(NCC1COC(C)(C)O1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCC3COC(C)(C)O3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCC3COC(C)(C)O3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCC3COC(C)(C)O3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCC3COC(C)(C)O3)nc3ccc(CO)cc32)n1
• InChI: InChI=1S/2C23H28N4O5.2C21H26N4O4.C16H21N3O4.C10H9ClN2O2.C7H8ClNO.C6H13NO2.C4H8O/c1-5-30-21(29)15-7-8-19-17(10-15)26-22(24-11-16-13-31-23(3,4)32-16)27(19)12-18-20(28)9-6-14(2)25-18;1-5-30-21(29)15-7-8-17-19(10-15)27(12-18-20(28)9-6-14(2)25-18)22(26-17)24-11-16-13-31-23(3,4)32-16;1-13-4-7-19(27)17(23-13)10-25-18-6-5-14(11-26)8-16(18)24-20(25)22-9-15-12-28-21(2,3)29-15;1-13-4-7-19(27)17(23-13)10-25-18-8-14(11-26)5-6-16(18)24-20(25)22-9-15-12-28-21(2,3)29-15;1-4-21-14(20)10-5-6-12-13(7-10)19-15(18-12)17-8-11-9-22-16(2,3)23-11;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-5-2-3-7(10)6(4-8)9-5;1-6(2)8-4-5(3-7)9-6;1-2-4-5-3-1/h2*6-10,16,28H,5,11-13H2,1-4H3,(H,24,26);2*4-8,15,26-27H,9-12H2,1-3H3,(H,22,24);5-7,11H,4,8-9H2,1-3H3,(H2,17,18,19);3-5H,2H2,1H3,(H,12,13);2-3,10H,4H2,1H3;5H,3-4,7H2,1-2H3;1-4H2
• InChIKey: NIXQVFSPHZZDPT-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 646.06 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 49
• Rotatable Bonds: 35
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.82
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane?

The IUPAC name of 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane (CID 159793924) is 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane.

What is the SMILES notation for 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane?

The canonical SMILES for 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane is C1CCOC1.CC1(C)OCC(CN)O1.CCOC(=O)c1ccc2c(c1)nc(NCC1COC(C)(C)O1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCC3COC(C)(C)O3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCC3COC(C)(C)O3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCC3COC(C)(C)O3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCC3COC(C)(C)O3)nc3ccc(CO)cc32)n1.

What is the InChIKey of 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane?

The InChIKey is NIXQVFSPHZZDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28N4O5.2C21H26N4O4.C16H21N3O4.C10H9ClN2O2.C7H8ClNO.C6H13NO2.C4H8O/c1-5-30-21(29)15-7-8-19-17(10-15)26-22(24-11-16-13-31-23(3,4)32-16)27(19)12-18-20(28)9-6-14(2)25-18;1-5-30-21(29)15-7-8-17-19(10-15)27(12-18-20(28)9-6-14(2)25-18)22(26-17)24-11-16-13-31-23(3,4)32-16;1-13-4-7-19(27)17(23-13)10-25-18-6-5-14(11-26)8-16(18)24-20(25)22-9-15-12-28-21(2,3)29-15;1-13-4-7-19(27)17(23-13)10-25-18-8-14(11-26)5-6-16(18)24-20(25)22-9-15-12-28-21(2,3)29-15;1-4-21-14(20)10-5-6-12-13(7-10)19-15(18-12)17-8-11-9-22-16(2,3)23-11;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-5-2-3-7(10)6(4-8)9-5;1-6(2)8-4-5(3-7)9-6;1-2-4-5-3-1/h2*6-10,16,28H,5,11-13H2,1-4H3,(H,24,26);2*4-8,15,26-27H,9-12H2,1-3H3,(H,22,24);5-7,11H,4,8-9H2,1-3H3,(H2,17,18,19);3-5H,2H2,1H3,(H,12,13);2-3,10H,4H2,1H3;5H,3-4,7H2,1-2H3;1-4H2.

What are the key properties of 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane?

2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane has a molecular weight of 2582.82 g/mol, XLogP of 18.99, 35 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;oxolane is sourced from PubChem (CID 159793924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).