dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline

C146H191BrCl2MnN28O19 — CID 157149157

About dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline

dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline (PubChem CID 157149157) has the molecular formula C146H191BrCl2MnN28O19 and a molecular weight of 2848.06 g/mol. Its IUPAC name is dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline.

Molecular Properties

• Compound Name: dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline
• PubChem CID: 157149157
• Molecular Formula: C146H191BrCl2MnN28O19
• Molecular Weight: 2848.06 g/mol
• Exact Mass: 2844.28
• IUPAC Name: dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline
• SMILES: C.CCOC(=O)CBr.CCOC(=O)CN1CCC(Nc2nc3c(C)cc(C=O)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3c(C)cc(CNc4cccc(C)c4)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3c(C)cc(CO)cc3n2Cc2nc(C)ccc2O)CC1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3c(C)cc(CO)cc32)n1.Cc1cccc(N)c1.Cc1cccc(NCc2cc(C)c3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.ClCCl.O=[Mn]=O
• InChI: InChI=1S/C32H40N6O3.C30H38N6O2.C25H33N5O4.C25H31N5O4.C21H27N5O2.C7H9N.C4H7BrO2.CH2Cl2.CH4.Mn.2O/c1-5-41-30(40)20-37-13-11-25(12-14-37)35-32-36-31-22(3)16-24(18-33-26-8-6-7-21(2)15-26)17-28(31)38(32)19-27-29(39)10-9-23(4)34-27;1-20-5-4-6-25(15-20)31-18-23-16-21(2)29-27(17-23)36(19-26-28(38)8-7-22(3)32-26)30(34-29)33-24-9-11-35(12-10-24)13-14-37;2*1-4-34-23(33)14-29-9-7-19(8-10-29)27-25-28-24-16(2)11-18(15-31)12-21(24)30(25)13-20-22(32)6-5-17(3)26-20;1-13-9-15(12-27)10-18-20(13)25-21(24-16-5-7-22-8-6-16)26(18)11-17-19(28)4-3-14(2)23-17;1-6-3-2-4-7(8)5-6;1-2-7-4(6)3-5;2-1-3;;;;/h6-10,15-17,25,33,39H,5,11-14,18-20H2,1-4H3,(H,35,36);4-8,15-17,24,31,37-38H,9-14,18-19H2,1-3H3,(H,33,34);5-6,11-12,19,31-32H,4,7-10,13-15H2,1-3H3,(H,27,28);5-6,11-12,15,19,32H,4,7-10,13-14H2,1-3H3,(H,27,28);3-4,9-10,16,22,27-28H,5-8,11-12H2,1-2H3,(H,24,25);2-5H,8H2,1H3;2-3H2,1H3;1H2;1H4
• InChIKey: MGYOAZLSBLOIPT-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 607.02 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 42
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2848.06
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline?

The IUPAC name of dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline (CID 157149157) is dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline.

What is the SMILES notation for dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline?

The canonical SMILES for dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline is C.CCOC(=O)CBr.CCOC(=O)CN1CCC(Nc2nc3c(C)cc(C=O)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3c(C)cc(CNc4cccc(C)c4)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3c(C)cc(CO)cc3n2Cc2nc(C)ccc2O)CC1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3c(C)cc(CO)cc32)n1.Cc1cccc(N)c1.Cc1cccc(NCc2cc(C)c3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.ClCCl.O=[Mn]=O.

What is the InChIKey of dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline?

The InChIKey is MGYOAZLSBLOIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O3.C30H38N6O2.C25H33N5O4.C25H31N5O4.C21H27N5O2.C7H9N.C4H7BrO2.CH2Cl2.CH4.Mn.2O/c1-5-41-30(40)20-37-13-11-25(12-14-37)35-32-36-31-22(3)16-24(18-33-26-8-6-7-21(2)15-26)17-28(31)38(32)19-27-29(39)10-9-23(4)34-27;1-20-5-4-6-25(15-20)31-18-23-16-21(2)29-27(17-23)36(19-26-28(38)8-7-22(3)32-26)30(34-29)33-24-9-11-35(12-10-24)13-14-37;2*1-4-34-23(33)14-29-9-7-19(8-10-29)27-25-28-24-16(2)11-18(15-31)12-21(24)30(25)13-20-22(32)6-5-17(3)26-20;1-13-9-15(12-27)10-18-20(13)25-21(24-16-5-7-22-8-6-16)26(18)11-17-19(28)4-3-14(2)23-17;1-6-3-2-4-7(8)5-6;1-2-7-4(6)3-5;2-1-3;;;;/h6-10,15-17,25,33,39H,5,11-14,18-20H2,1-4H3,(H,35,36);4-8,15-17,24,31,37-38H,9-14,18-19H2,1-3H3,(H,33,34);5-6,11-12,19,31-32H,4,7-10,13-15H2,1-3H3,(H,27,28);5-6,11-12,15,19,32H,4,7-10,13-14H2,1-3H3,(H,27,28);3-4,9-10,16,22,27-28H,5-8,11-12H2,1-2H3,(H,24,25);2-5H,8H2,1H3;2-3H2,1H3;1H2;1H4;;;.

What are the key properties of dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline?

dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline has a molecular weight of 2848.06 g/mol, XLogP of 22.34, 42 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-4-methyl-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-methylaniline is sourced from PubChem (CID 157149157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).