2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride

C86H124Cl3N19O7 — CID 159586496

About 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride

2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride (PubChem CID 159586496) has the molecular formula C86H124Cl3N19O7 and a molecular weight of 1642.42 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride
• PubChem CID: 159586496
• Molecular Formula: C86H124Cl3N19O7
• Molecular Weight: 1642.42 g/mol
• Exact Mass: 1639.90
• IUPAC Name: 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride
• SMILES: C.Cc1cc(C)c2c(c1)nc(NCCCN1CCOCC1)n2Cc1nc(C)ccc1O.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl.NCCCN1CCOCC1
• InChI: InChI=1S/2C23H31N5O2.C16H24N4O.C9H9ClN2.C7H8ClNO.C7H16N2O.CH4.ClH/c1-16-13-17(2)22-20(14-16)28(15-19-21(29)6-5-18(3)25-19)23(26-22)24-7-4-8-27-9-11-30-12-10-27;1-16-13-17(2)22-19(14-16)26-23(24-7-4-8-27-9-11-30-12-10-27)28(22)15-20-21(29)6-5-18(3)25-20;1-12-10-13(2)15-14(11-12)18-16(19-15)17-4-3-5-20-6-8-21-9-7-20;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-2-3-7(10)6(4-8)9-5;8-2-1-3-9-4-6-10-7-5-9;;/h2*5-6,13-14,29H,4,7-12,15H2,1-3H3,(H,24,26);10-11H,3-9H2,1-2H3,(H2,17,18,19);3-4H,1-2H3,(H,11,12);2-3,10H,4H2,1H3;1-8H2;1H4;1H
• InChIKey: GEUUJWHYVXUHOJ-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 304.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1642.42
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride?

The IUPAC name of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride (CID 159586496) is 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride.

What is the SMILES notation for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride?

The canonical SMILES for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride is C.Cc1cc(C)c2c(c1)nc(NCCCN1CCOCC1)n2Cc1nc(C)ccc1O.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)[nH]c2c1.Cc1cc(C)c2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl.NCCCN1CCOCC1.

What is the InChIKey of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride?

The InChIKey is GEUUJWHYVXUHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31N5O2.C16H24N4O.C9H9ClN2.C7H8ClNO.C7H16N2O.CH4.ClH/c1-16-13-17(2)22-20(14-16)28(15-19-21(29)6-5-18(3)25-19)23(26-22)24-7-4-8-27-9-11-30-12-10-27;1-16-13-17(2)22-19(14-16)26-23(24-7-4-8-27-9-11-30-12-10-27)28(22)15-20-21(29)6-5-18(3)25-20;1-12-10-13(2)15-14(11-12)18-16(19-15)17-4-3-5-20-6-8-21-9-7-20;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-2-3-7(10)6(4-8)9-5;8-2-1-3-9-4-6-10-7-5-9;;/h2*5-6,13-14,29H,4,7-12,15H2,1-3H3,(H,24,26);10-11H,3-9H2,1-2H3,(H2,17,18,19);3-4H,1-2H3,(H,11,12);2-3,10H,4H2,1H3;1-8H2;1H4;1H.

What are the key properties of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride?

2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 1642.42 g/mol, XLogP of 14.20, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[4,6-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5,7-dimethyl-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-amine;methane;3-morpholin-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 159586496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).