3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

C132H183Br5Cl3MnN27O13 — CID 159355323

About 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (PubChem CID 159355323) has the molecular formula C132H183Br5Cl3MnN27O13 and a molecular weight of 2916.91 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

• Compound Name: 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• PubChem CID: 159355323
• Molecular Formula: C132H183Br5Cl3MnN27O13
• Molecular Weight: 2916.91 g/mol
• Exact Mass: 2908.89
• IUPAC Name: 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• SMILES: C.C.C.C.C.C.Cc1ccc(CCCO)c(N)c1.Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4cccc(Br)n4)c3c2)c1.ClCCl.ClCc1cccc(Br)n1.O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3cccc(Br)n3)c2c1.O=[Mn]=O.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1cccc(Br)n1.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3cccc(Br)n3)c2c1
• InChI: InChI=1S/C31H39BrN6O2.2C21H26BrN5O2.C21H24BrN5O2.C15H22N4O2.C10H15NO.C6H5BrClN.CH2Cl2.6CH4.Mn.2O/c1-23-8-10-25(5-3-16-39)28(19-23)34-21-24-9-11-27-29(20-24)38(22-26-6-2-7-30(32)35-26)31(36-27)33-12-4-13-37-14-17-40-18-15-37;22-20-4-1-3-17(24-20)14-27-19-6-5-16(15-28)13-18(19)25-21(27)23-7-2-8-26-9-11-29-12-10-26;2*22-20-4-1-3-17(24-20)14-27-19-13-16(15-28)5-6-18(19)25-21(27)23-7-2-8-26-9-11-29-12-10-26;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;7-6-3-1-2-5(4-8)9-6;2-1-3;;;;;;;;;/h2,6-11,19-20,34,39H,3-5,12-18,21-22H2,1H3,(H,33,36);2*1,3-6,13,28H,2,7-12,14-15H2,(H,23,25);1,3-6,13,15H,2,7-12,14H2,(H,23,25);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;1-3H,4H2;1H2;6*1H4
• InChIKey: XNUIKYRQYXXAPQ-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 477.32 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2916.91
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (CID 159355323) is 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

What is the SMILES notation for 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The canonical SMILES for 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is C.C.C.C.C.C.Cc1ccc(CCCO)c(N)c1.Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4cccc(Br)n4)c3c2)c1.ClCCl.ClCc1cccc(Br)n1.O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3cccc(Br)n3)c2c1.O=[Mn]=O.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1cccc(Br)n1.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3cccc(Br)n3)c2c1.

What is the InChIKey of 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The InChIKey is XNUIKYRQYXXAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39BrN6O2.2C21H26BrN5O2.C21H24BrN5O2.C15H22N4O2.C10H15NO.C6H5BrClN.CH2Cl2.6CH4.Mn.2O/c1-23-8-10-25(5-3-16-39)28(19-23)34-21-24-9-11-27-29(20-24)38(22-26-6-2-7-30(32)35-26)31(36-27)33-12-4-13-37-14-17-40-18-15-37;22-20-4-1-3-17(24-20)14-27-19-6-5-16(15-28)13-18(19)25-21(27)23-7-2-8-26-9-11-29-12-10-26;2*22-20-4-1-3-17(24-20)14-27-19-13-16(15-28)5-6-18(19)25-21(27)23-7-2-8-26-9-11-29-12-10-26;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;7-6-3-1-2-5(4-8)9-6;2-1-3;;;;;;;;;/h2,6-11,19-20,34,39H,3-5,12-18,21-22H2,1H3,(H,33,36);2*1,3-6,13,28H,2,7-12,14-15H2,(H,23,25);1,3-6,13,15H,2,7-12,14H2,(H,23,25);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;1-3H,4H2;1H2;6*1H4;;;.

What are the key properties of 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol has a molecular weight of 2916.91 g/mol, XLogP of 24.42, 47 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-4-methylphenyl)propan-1-ol;2-bromo-6-(chloromethyl)pyridine;3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(6-bromo-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 159355323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).