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

C206H287Cl4MnN49O21 — CID 158837086

IUPAC2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane
SMILESC1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NCCCN1CCN(C)CC1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1.CN1CCN(CCCN)CC1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(CO)cc32)n1.ClCCl.O=[Mn]=O
InChIInChI=1S/C31H41N7O.2C25H34N6O3.2C23H32N6O2.C23H30N6O2.C18H27N5O2.C10H9ClN2O2.C8H19N3.C8H11N.C7H8ClNO.C4H8O.CH2Cl2.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-7-8-27-29(19-25)38(21-28-30(39)9-6-24(3)34-28)31(35-27)32-10-5-11-37-14-12-36(4)13-15-37;1-4-34-24(33)19-7-8-22-20(16-19)28-25(26-10-5-11-30-14-12-29(3)13-15-30)31(22)17-21-23(32)9-6-18(2)27-21;1-4-34-24(33)19-7-8-20-22(16-19)31(17-21-23(32)9-6-18(2)27-21)25(28-20)26-10-5-11-30-14-12-29(3)13-15-30;1-17-4-7-22(31)20(25-17)15-29-21-6-5-18(16-30)14-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;2*1-17-4-7-22(31)20(25-17)15-29-21-14-18(16-30)5-6-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-3-25-17(24)14-5-6-15-16(13-14)21-18(20-15)19-7-4-8-23-11-9-22(2)10-12-23;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-10-5-7-11(8-6-10)4-2-3-9;1-6-3-7(2)5-8(9)4-6;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;2-1-3;;;/h6-9,16-19,33,39H,5,10-15,20-21H2,1-4H3,(H,32,35);2*6-9,16,32H,4-5,10-15,17H2,1-3H3,(H,26,28);2*4-7,14,30-31H,3,8-13,15-16H2,1-2H3,(H,24,26);4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,24,26);5-6,13H,3-4,7-12H2,1-2H3,(H2,19,20,21);3-5H,2H2,1H3,(H,12,13);2-9H2,1H3;3-5H,9H2,1-2H3;2-3,10H,4H2,1H3;1-4H2;1H2;;;
InChIKeyHZOBURKLBRPJDC-UHFFFAOYSA-N
MW3982.63 g/mol
LogP26.10
Rot. Bonds65

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

2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane (PubChem CID 158837086) has the molecular formula C206H287Cl4MnN49O21 and a molecular weight of 3982.63 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane.

Molecular Properties

Compound Name2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane
PubChem CID158837086
Molecular FormulaC206H287Cl4MnN49O21
Molecular Weight3982.63 g/mol
Exact Mass3978.10
IUPAC Name2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane
SMILESC1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NCCCN1CCN(C)CC1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1.CN1CCN(CCCN)CC1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(CO)cc32)n1.ClCCl.O=[Mn]=O
InChIInChI=1S/C31H41N7O.2C25H34N6O3.2C23H32N6O2.C23H30N6O2.C18H27N5O2.C10H9ClN2O2.C8H19N3.C8H11N.C7H8ClNO.C4H8O.CH2Cl2.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-7-8-27-29(19-25)38(21-28-30(39)9-6-24(3)34-28)31(35-27)32-10-5-11-37-14-12-36(4)13-15-37;1-4-34-24(33)19-7-8-22-20(16-19)28-25(26-10-5-11-30-14-12-29(3)13-15-30)31(22)17-21-23(32)9-6-18(2)27-21;1-4-34-24(33)19-7-8-20-22(16-19)31(17-21-23(32)9-6-18(2)27-21)25(28-20)26-10-5-11-30-14-12-29(3)13-15-30;1-17-4-7-22(31)20(25-17)15-29-21-6-5-18(16-30)14-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;2*1-17-4-7-22(31)20(25-17)15-29-21-14-18(16-30)5-6-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-3-25-17(24)14-5-6-15-16(13-14)21-18(20-15)19-7-4-8-23-11-9-22(2)10-12-23;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-10-5-7-11(8-6-10)4-2-3-9;1-6-3-7(2)5-8(9)4-6;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;2-1-3;;;/h6-9,16-19,33,39H,5,10-15,20-21H2,1-4H3,(H,32,35);2*6-9,16,32H,4-5,10-15,17H2,1-3H3,(H,26,28);2*4-7,14,30-31H,3,8-13,15-16H2,1-2H3,(H,24,26);4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,24,26);5-6,13H,3-4,7-12H2,1-2H3,(H2,19,20,21);3-5H,2H2,1H3,(H,12,13);2-9H2,1H3;3-5H,9H2,1-2H3;2-3,10H,4H2,1H3;1-4H2;1H2;;;
InChIKeyHZOBURKLBRPJDC-UHFFFAOYSA-N
XLogP26.10
TPSA802.34 Ų
H-Bond Donors21
H-Bond Acceptors68
Rotatable Bonds65
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003982.63
LogP ≤ 526.10
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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'}

Analyze 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane?
The IUPAC name of 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane (CID 158837086) is 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane.
What is the SMILES notation for 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane?
The canonical SMILES for 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane is C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NCCCN1CCN(C)CC1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1.CN1CCN(CCCN)CC1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(CO)cc32)n1.ClCCl.O=[Mn]=O.
What is the InChIKey of 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane?
The InChIKey is HZOBURKLBRPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O.2C25H34N6O3.2C23H32N6O2.C23H30N6O2.C18H27N5O2.C10H9ClN2O2.C8H19N3.C8H11N.C7H8ClNO.C4H8O.CH2Cl2.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-7-8-27-29(19-25)38(21-28-30(39)9-6-24(3)34-28)31(35-27)32-10-5-11-37-14-12-36(4)13-15-37;1-4-34-24(33)19-7-8-22-20(16-19)28-25(26-10-5-11-30-14-12-29(3)13-15-30)31(22)17-21-23(32)9-6-18(2)27-21;1-4-34-24(33)19-7-8-20-22(16-19)31(17-21-23(32)9-6-18(2)27-21)25(28-20)26-10-5-11-30-14-12-29(3)13-15-30;1-17-4-7-22(31)20(25-17)15-29-21-6-5-18(16-30)14-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;2*1-17-4-7-22(31)20(25-17)15-29-21-14-18(16-30)5-6-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-3-25-17(24)14-5-6-15-16(13-14)21-18(20-15)19-7-4-8-23-11-9-22(2)10-12-23;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-10-5-7-11(8-6-10)4-2-3-9;1-6-3-7(2)5-8(9)4-6;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;2-1-3;;;/h6-9,16-19,33,39H,5,10-15,20-21H2,1-4H3,(H,32,35);2*6-9,16,32H,4-5,10-15,17H2,1-3H3,(H,26,28);2*4-7,14,30-31H,3,8-13,15-16H2,1-2H3,(H,24,26);4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,24,26);5-6,13H,3-4,7-12H2,1-2H3,(H2,19,20,21);3-5H,2H2,1H3,(H,12,13);2-9H2,1H3;3-5H,9H2,1-2H3;2-3,10H,4H2,1H3;1-4H2;1H2;;;.
What are the key properties of 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane?
2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane has a molecular weight of 3982.63 g/mol, XLogP of 26.10, 65 rotatable bonds, 21 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methylpyridin-3-ol;dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane is sourced from PubChem (CID 158837086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).