2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

C124H161Cl4MnN27O17 — CID 159887090

About 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (PubChem CID 159887090) has the molecular formula C124H161Cl4MnN27O17 and a molecular weight of 2498.57 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

• Compound Name: 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• PubChem CID: 159887090
• Molecular Formula: C124H161Cl4MnN27O17
• Molecular Weight: 2498.57 g/mol
• Exact Mass: 2495.07
• IUPAC Name: 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
• SMILES: Cc1ccc(CCO)c(N)c1.Cc1ccc(CCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4ncccc4O)c3c2)c1.ClCCl.O=[Mn]=O.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1ncccc1O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3ncccc3O)c2c1.Oc1cccnc1CCl.Oc1cccnc1Cn1c(NCCCN2CCOCC2)nc2ccc(CCl)cc21
• InChI: InChI=1S/C30H38N6O3.C21H26ClN5O2.2C21H27N5O3.C15H22N4O2.C9H13NO.C6H6ClNO.CH2Cl2.Mn.2O/c1-22-5-7-24(9-15-37)26(18-22)33-20-23-6-8-25-28(19-23)36(21-27-29(38)4-2-10-31-27)30(34-25)32-11-3-12-35-13-16-39-17-14-35;22-14-16-4-5-17-19(13-16)27(15-18-20(28)3-1-6-23-18)21(25-17)24-7-2-8-26-9-11-29-12-10-26;27-15-16-4-5-19-17(13-16)24-21(23-7-2-8-25-9-11-29-12-10-25)26(19)14-18-20(28)3-1-6-22-18;27-15-16-4-5-17-19(13-16)26(14-18-20(28)3-1-6-22-18)21(24-17)23-7-2-8-25-9-11-29-12-10-25;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-7-2-3-8(4-5-11)9(10)6-7;7-4-5-6(9)2-1-3-8-5;2-1-3;;;/h2,4-8,10,18-19,33,37-38H,3,9,11-17,20-21H2,1H3,(H,32,34);1,3-6,13,28H,2,7-12,14-15H2,(H,24,25);2*1,3-6,13,27-28H,2,7-12,14-15H2,(H,23,24);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);2-3,6,11H,4-5,10H2,1H3;1-3,9H,4H2;1H2
• InChIKey: RNQKTAYSWVIXAA-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 561.40 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 43
• Rotatable Bonds: 45
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2498.57
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'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 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The IUPAC name of 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (CID 159887090) is 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

What is the SMILES notation for 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The canonical SMILES for 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is Cc1ccc(CCO)c(N)c1.Cc1ccc(CCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4ncccc4O)c3c2)c1.ClCCl.O=[Mn]=O.OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1ncccc1O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.OCc1ccc2nc(NCCCN3CCOCC3)n(Cc3ncccc3O)c2c1.Oc1cccnc1CCl.Oc1cccnc1Cn1c(NCCCN2CCOCC2)nc2ccc(CCl)cc21.

What is the InChIKey of 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

The InChIKey is RNQKTAYSWVIXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3.C21H26ClN5O2.2C21H27N5O3.C15H22N4O2.C9H13NO.C6H6ClNO.CH2Cl2.Mn.2O/c1-22-5-7-24(9-15-37)26(18-22)33-20-23-6-8-25-28(19-23)36(21-27-29(38)4-2-10-31-27)30(34-25)32-11-3-12-35-13-16-39-17-14-35;22-14-16-4-5-17-19(13-16)27(15-18-20(28)3-1-6-23-18)21(25-17)24-7-2-8-26-9-11-29-12-10-26;27-15-16-4-5-19-17(13-16)24-21(23-7-2-8-25-9-11-29-12-10-25)26(19)14-18-20(28)3-1-6-22-18;27-15-16-4-5-17-19(13-16)26(14-18-20(28)3-1-6-22-18)21(24-17)23-7-2-8-25-9-11-29-12-10-25;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-7-2-3-8(4-5-11)9(10)6-7;7-4-5-6(9)2-1-3-8-5;2-1-3;;;/h2,4-8,10,18-19,33,37-38H,3,9,11-17,20-21H2,1H3,(H,32,34);1,3-6,13,28H,2,7-12,14-15H2,(H,24,25);2*1,3-6,13,27-28H,2,7-12,14-15H2,(H,23,24);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);2-3,6,11H,4-5,10H2,1H3;1-3,9H,4H2;1H2;;;.

What are the key properties of 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?

2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol has a molecular weight of 2498.57 g/mol, XLogP of 15.47, 45 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-4-methylphenyl)ethanol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-(chloromethyl)pyridin-3-ol;dichloromethane;dioxomanganese;2-[[6-[[2-(2-hydroxyethyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 159887090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).