(2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride

C149H206Cl5MnN31O18 — CID 159390463

About (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride

(2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride (PubChem CID 159390463) has the molecular formula C149H206Cl5MnN31O18 and a molecular weight of 2951.69 g/mol. Its IUPAC name is (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride
• PubChem CID: 159390463
• Molecular Formula: C149H206Cl5MnN31O18
• Molecular Weight: 2951.69 g/mol
• Exact Mass: 2947.40
• IUPAC Name: (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride
• SMILES: C.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCCOCC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCCOCC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCCOCC3)nc3ccc(CO)cc32)n1.Cl.ClCCl.NCCCN1CCCOCC1.O=[Mn]=O.OCc1ccc2nc(Cl)[nH]c2c1.OCc1ccc2nc(NCCCN3CCCOCC3)[nH]c2c1
• InChI: InChI=1S/C31H40N6O2.2C23H31N5O3.C23H29N5O3.C16H24N4O2.C8H7ClN2O.C8H18N2O.C8H11N.C7H8ClNO.CH2Cl2.CH4.ClH.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-7-8-27-29(19-25)37(21-28-30(38)9-6-24(3)34-28)31(35-27)32-10-4-11-36-12-5-14-39-15-13-36;1-17-4-7-22(30)20(25-17)15-28-21-6-5-18(16-29)14-19(21)26-23(28)24-8-2-9-27-10-3-12-31-13-11-27;2*1-17-4-7-22(30)20(25-17)15-28-21-14-18(16-29)5-6-19(21)26-23(28)24-8-2-9-27-10-3-12-31-13-11-27;21-12-13-3-4-14-15(11-13)19-16(18-14)17-5-1-6-20-7-2-9-22-10-8-20;9-8-10-6-2-1-5(4-12)3-7(6)11-8;9-3-1-4-10-5-2-7-11-8-6-10;1-6-3-7(2)5-8(9)4-6;1-5-2-3-7(10)6(4-8)9-5;2-1-3;;;;;/h6-9,16-19,33,38H,4-5,10-15,20-21H2,1-3H3,(H,32,35);2*4-7,14,29-30H,2-3,8-13,15-16H2,1H3,(H,24,26);4-7,14,16,30H,2-3,8-13,15H2,1H3,(H,24,26);3-4,11,21H,1-2,5-10,12H2,(H2,17,18,19);1-3,12H,4H2,(H,10,11);1-9H2;3-5H,9H2,1-2H3;2-3,10H,4H2,1H3;1H2;1H4;1H
• InChIKey: IKAZFPUARPPWNR-UHFFFAOYSA-N
• XLogP: 22.40
• TPSA: 625.41 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 47
• Rotatable Bonds: 45
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2951.69
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	47

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 (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride?

The IUPAC name of (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride (CID 159390463) is (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride.

What is the SMILES notation for (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride?

The canonical SMILES for (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride is C.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCCOCC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCCOCC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCCOCC3)nc3ccc(CO)cc32)n1.Cl.ClCCl.NCCCN1CCCOCC1.O=[Mn]=O.OCc1ccc2nc(Cl)[nH]c2c1.OCc1ccc2nc(NCCCN3CCCOCC3)[nH]c2c1.

What is the InChIKey of (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride?

The InChIKey is IKAZFPUARPPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O2.2C23H31N5O3.C23H29N5O3.C16H24N4O2.C8H7ClN2O.C8H18N2O.C8H11N.C7H8ClNO.CH2Cl2.CH4.ClH.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-7-8-27-29(19-25)37(21-28-30(38)9-6-24(3)34-28)31(35-27)32-10-4-11-36-12-5-14-39-15-13-36;1-17-4-7-22(30)20(25-17)15-28-21-6-5-18(16-29)14-19(21)26-23(28)24-8-2-9-27-10-3-12-31-13-11-27;2*1-17-4-7-22(30)20(25-17)15-28-21-14-18(16-29)5-6-19(21)26-23(28)24-8-2-9-27-10-3-12-31-13-11-27;21-12-13-3-4-14-15(11-13)19-16(18-14)17-5-1-6-20-7-2-9-22-10-8-20;9-8-10-6-2-1-5(4-12)3-7(6)11-8;9-3-1-4-10-5-2-7-11-8-6-10;1-6-3-7(2)5-8(9)4-6;1-5-2-3-7(10)6(4-8)9-5;2-1-3;;;;;/h6-9,16-19,33,38H,4-5,10-15,20-21H2,1-3H3,(H,32,35);2*4-7,14,29-30H,2-3,8-13,15-16H2,1H3,(H,24,26);4-7,14,16,30H,2-3,8-13,15H2,1H3,(H,24,26);3-4,11,21H,1-2,5-10,12H2,(H2,17,18,19);1-3,12H,4H2,(H,10,11);1-9H2;3-5H,9H2,1-2H3;2-3,10H,4H2,1H3;1H2;1H4;1H;;;.

What are the key properties of (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride?

(2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride has a molecular weight of 2951.69 g/mol, XLogP of 22.40, 45 rotatable bonds, 19 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;2-[[5-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(1,4-oxazepan-4-yl)propylamino]benzimidazole-5-carbaldehyde;methane;3-(1,4-oxazepan-4-yl)propan-1-amine;[2-[3-(1,4-oxazepan-4-yl)propylamino]-3H-benzimidazol-5-yl]methanol;hydrochloride is sourced from PubChem (CID 159390463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).