3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

C131H164Br5Cl3MnN22O18 — CID 158497968

About 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (PubChem CID 158497968) has the molecular formula C131H164Br5Cl3MnN22O18 and a molecular weight of 2895.71 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

• Compound Name: 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• PubChem CID: 158497968
• Molecular Formula: C131H164Br5Cl3MnN22O18
• Molecular Weight: 2895.71 g/mol
• Exact Mass: 2887.70
• IUPAC Name: 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• SMILES: Cc1ccc(CCCO)c(N)c1.Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4cc(Br)ccc4O)c3c2)c1.ClCCl.O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3cc(Br)ccc3O)c2c1.O=[Mn]=O.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1cc(Br)ccc1O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3cc(Br)ccc3O)c2c1.Oc1ccc(Br)cc1CCl
• InChI: InChI=1S/C32H40BrN5O3.2C22H27BrN4O3.C22H25BrN4O3.C15H22N4O2.C10H15NO.C7H6BrClO.CH2Cl2.Mn.2O/c1-23-5-7-25(4-2-15-39)29(18-23)35-21-24-6-9-28-30(19-24)38(22-26-20-27(33)8-10-31(26)40)32(36-28)34-11-3-12-37-13-16-41-17-14-37;23-18-3-5-21(29)17(13-18)14-27-20-4-2-16(15-28)12-19(20)25-22(27)24-6-1-7-26-8-10-30-11-9-26;2*23-18-3-5-21(29)17(13-18)14-27-20-12-16(15-28)2-4-19(20)25-22(27)24-6-1-7-26-8-10-30-11-9-26;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;8-6-1-2-7(10)5(3-6)4-9;2-1-3;;;/h5-10,18-20,35,39-40H,2-4,11-17,21-22H2,1H3,(H,34,36);2*2-5,12-13,28-29H,1,6-11,14-15H2,(H,24,25);2-5,12-13,15,29H,1,6-11,14H2,(H,24,25);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;1-3,10H,4H2;1H2
• InChIKey: HAAJQBKICATBRJ-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 514.02 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2895.71
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', '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;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (CID 158497968) is 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[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-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The canonical SMILES for 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is Cc1ccc(CCCO)c(N)c1.Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4cc(Br)ccc4O)c3c2)c1.ClCCl.O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3cc(Br)ccc3O)c2c1.O=[Mn]=O.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1cc(Br)ccc1O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3cc(Br)ccc3O)c2c1.Oc1ccc(Br)cc1CCl.

What is the InChIKey of 3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The InChIKey is HAAJQBKICATBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40BrN5O3.2C22H27BrN4O3.C22H25BrN4O3.C15H22N4O2.C10H15NO.C7H6BrClO.CH2Cl2.Mn.2O/c1-23-5-7-25(4-2-15-39)29(18-23)35-21-24-6-9-28-30(19-24)38(22-26-20-27(33)8-10-31(26)40)32(36-28)34-11-3-12-37-13-16-41-17-14-37;23-18-3-5-21(29)17(13-18)14-27-20-4-2-16(15-28)12-19(20)25-22(27)24-6-1-7-26-8-10-30-11-9-26;2*23-18-3-5-21(29)17(13-18)14-27-20-12-16(15-28)2-4-19(20)25-22(27)24-6-1-7-26-8-10-30-11-9-26;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;8-6-1-2-7(10)5(3-6)4-9;2-1-3;;;/h5-10,18-20,35,39-40H,2-4,11-17,21-22H2,1H3,(H,34,36);2*2-5,12-13,28-29H,1,6-11,14-15H2,(H,24,25);2-5,12-13,15,29H,1,6-11,14H2,(H,24,25);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;1-3,10H,4H2;1H2;;;.

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

3-(2-amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol has a molecular weight of 2895.71 g/mol, XLogP of 22.16, 47 rotatable bonds, 18 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;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 158497968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).