2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol

C126H165ClN22O15 — CID 159650492

About 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol

2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol (PubChem CID 159650492) has the molecular formula C126H165ClN22O15 and a molecular weight of 2263.30 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol.

Molecular Properties

• Compound Name: 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol
• PubChem CID: 159650492
• Molecular Formula: C126H165ClN22O15
• Molecular Weight: 2263.30 g/mol
• Exact Mass: 2261.25
• IUPAC Name: 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol
• SMILES: CCOC(=O)CC1CN(CCCN)CCO1.CCOC(=O)CC1CN(CCCNc2nc3c(C)cc(C)cc3n2Cc2nc(C)ccc2OCc2ccccc2)CCO1.CO.Cc1cc(C)c2nc(Cl)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1.Cc1cc(C)c2nc(NCCCN3CCOC(CC(N)=O)C3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NCCCN3CCOC(CC(N)=O)C3)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1
• InChI: InChI=1S/C34H43N5O4.C32H40N6O3.C25H34N6O3.C23H22ClN3O.C11H22N2O3.CH4O/c1-5-41-32(40)20-28-21-38(16-17-42-28)15-9-14-35-34-37-33-25(3)18-24(2)19-30(33)39(34)22-29-31(13-12-26(4)36-29)43-23-27-10-7-6-8-11-27;1-22-16-23(2)31-28(17-22)38(20-27-29(11-10-24(3)35-27)41-21-25-8-5-4-6-9-25)32(36-31)34-12-7-13-37-14-15-40-26(19-37)18-30(33)39;1-16-11-17(2)24-21(12-16)31(15-20-22(32)6-5-18(3)28-20)25(29-24)27-7-4-8-30-9-10-34-19(14-30)13-23(26)33;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;1-2-15-11(14)8-10-9-13(5-3-4-12)6-7-16-10;1-2/h6-8,10-13,18-19,28H,5,9,14-17,20-23H2,1-4H3,(H,35,37);4-6,8-11,16-17,26H,7,12-15,18-21H2,1-3H3,(H2,33,39)(H,34,36);5-6,11-12,19,32H,4,7-10,13-15H2,1-3H3,(H2,26,33)(H,27,29);4-12H,13-14H2,1-3H3;10H,2-9,12H2,1H3;2H,1H3
• InChIKey: MRMSKMQXTPVLCT-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 441.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.30
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol?

The IUPAC name of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol (CID 159650492) is 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol.

What is the SMILES notation for 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol?

The canonical SMILES for 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol is CCOC(=O)CC1CN(CCCN)CCO1.CCOC(=O)CC1CN(CCCNc2nc3c(C)cc(C)cc3n2Cc2nc(C)ccc2OCc2ccccc2)CCO1.CO.Cc1cc(C)c2nc(Cl)n(Cc3nc(C)ccc3OCc3ccccc3)c2c1.Cc1cc(C)c2nc(NCCCN3CCOC(CC(N)=O)C3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NCCCN3CCOC(CC(N)=O)C3)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-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol?

The InChIKey is MRMSKMQXTPVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O4.C32H40N6O3.C25H34N6O3.C23H22ClN3O.C11H22N2O3.CH4O/c1-5-41-32(40)20-28-21-38(16-17-42-28)15-9-14-35-34-37-33-25(3)18-24(2)19-30(33)39(34)22-29-31(13-12-26(4)36-29)43-23-27-10-7-6-8-11-27;1-22-16-23(2)31-28(17-22)38(20-27-29(11-10-24(3)35-27)41-21-25-8-5-4-6-9-25)32(36-31)34-12-7-13-37-14-15-40-26(19-37)18-30(33)39;1-16-11-17(2)24-21(12-16)31(15-20-22(32)6-5-18(3)28-20)25(29-24)27-7-4-8-30-9-10-34-19(14-30)13-23(26)33;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;1-2-15-11(14)8-10-9-13(5-3-4-12)6-7-16-10;1-2/h6-8,10-13,18-19,28H,5,9,14-17,20-23H2,1-4H3,(H,35,37);4-6,8-11,16-17,26H,7,12-15,18-21H2,1-3H3,(H2,33,39)(H,34,36);5-6,11-12,19,32H,4,7-10,13-15H2,1-3H3,(H2,26,33)(H,27,29);4-12H,13-14H2,1-3H3;10H,2-9,12H2,1H3;2H,1H3.

What are the key properties of 2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol?

2-chloro-4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole;2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol has a molecular weight of 2263.30 g/mol, XLogP of 17.53, 45 rotatable bonds, 8 hydrogen bond donors, and 35 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-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;ethyl 2-[4-(3-aminopropyl)morpholin-2-yl]acetate;ethyl 2-[4-[3-[[4,6-dimethyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetate;2-[4-[3-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]propyl]morpholin-2-yl]acetamide;methanol is sourced from PubChem (CID 159650492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).