3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

C107H136Cl3MnN25O11 — CID 159526291

About 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (PubChem CID 159526291) has the molecular formula C107H136Cl3MnN25O11 and a molecular weight of 2109.73 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

• Compound Name: 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• PubChem CID: 159526291
• Molecular Formula: C107H136Cl3MnN25O11
• Molecular Weight: 2109.73 g/mol
• Exact Mass: 2106.93
• IUPAC Name: 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• SMILES: Cc1ccc(CCCO)c(N)c1.ClCCl.Cn1cnc2c(CCl)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4cc(CO)ccc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(C=O)cc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(CO)cc43)cccc21.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1
• InChI: InChI=1S/2C24H30N6O2.C24H28N6O2.C15H22N4O2.C10H15NO.C9H9ClN2.CH2Cl2.Mn.2O/c1-28-17-26-23-19(4-2-5-22(23)28)15-30-21-7-6-18(16-31)14-20(21)27-24(30)25-8-3-9-29-10-12-32-13-11-29;2*1-28-17-26-23-19(4-2-5-21(23)28)15-30-22-14-18(16-31)6-7-20(22)27-24(30)25-8-3-9-29-10-12-32-13-11-29;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-12-6-11-9-7(5-10)3-2-4-8(9)12;2-1-3;;;/h2*2,4-7,14,17,31H,3,8-13,15-16H2,1H3,(H,25,27);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,25,27);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;2-4,6H,5H2,1H3;1H2
• InChIKey: OWEXWRGKBZBFAI-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 409.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2109.73
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (CID 159526291) is 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

What is the SMILES notation for 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The canonical SMILES for 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is Cc1ccc(CCCO)c(N)c1.ClCCl.Cn1cnc2c(CCl)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4cc(CO)ccc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(C=O)cc43)cccc21.Cn1cnc2c(Cn3c(NCCCN4CCOCC4)nc4ccc(CO)cc43)cccc21.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.

What is the InChIKey of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The InChIKey is OWEXWRGKBZBFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O2.C24H28N6O2.C15H22N4O2.C10H15NO.C9H9ClN2.CH2Cl2.Mn.2O/c1-28-17-26-23-19(4-2-5-22(23)28)15-30-21-7-6-18(16-31)14-20(21)27-24(30)25-8-3-9-29-10-12-32-13-11-29;2*1-28-17-26-23-19(4-2-5-21(23)28)15-30-22-14-18(16-31)6-7-20(22)27-24(30)25-8-3-9-29-10-12-32-13-11-29;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-12-6-11-9-7(5-10)3-2-4-8(9)12;2-1-3;;;/h2*2,4-7,14,17,31H,3,8-13,15-16H2,1H3,(H,25,27);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,25,27);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;2-4,6H,5H2,1H3;1H2;;;.

What are the key properties of 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol has a molecular weight of 2109.73 g/mol, XLogP of 14.30, 34 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 159526291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).