dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane

C149H196BrCl2MnN29O19 — CID 158801293

About dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane

dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane (PubChem CID 158801293) has the molecular formula C149H196BrCl2MnN29O19 and a molecular weight of 2903.14 g/mol. Its IUPAC name is dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane.

Molecular Properties

• Compound Name: dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
• PubChem CID: 158801293
• Molecular Formula: C149H196BrCl2MnN29O19
• Molecular Weight: 2903.14 g/mol
• Exact Mass: 2899.32
• IUPAC Name: dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
• SMILES: C.CCOC(=O)CCBr.CCOC(=O)CCN1CCC(Nc2nc3ccc(C=O)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CCN1CCC(Nc2nc3ccc(CNc4cc(C)cc(C)c4)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CCN1CCC(Nc2nc3ccc(CO)cc3n2Cc2nc(C)ccc2O)CC1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(CCC(N)=O)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3ccc(CO)cc32)n1.ClCCl.O=[Mn]=O
• InChI: InChI=1S/C33H42N6O3.C31H39N7O2.C25H33N5O4.C25H31N5O4.C20H25N5O2.C8H11N.C5H9BrO2.CH2Cl2.CH4.Mn.2O/c1-5-42-32(41)12-15-38-13-10-26(11-14-38)36-33-37-28-8-7-25(20-34-27-17-22(2)16-23(3)18-27)19-30(28)39(33)21-29-31(40)9-6-24(4)35-29;1-20-14-21(2)16-25(15-20)33-18-23-5-6-26-28(17-23)38(19-27-29(39)7-4-22(3)34-27)31(36-26)35-24-8-11-37(12-9-24)13-10-30(32)40;2*1-3-34-24(33)10-13-29-11-8-19(9-12-29)27-25-28-20-6-5-18(16-31)14-22(20)30(25)15-21-23(32)7-4-17(2)26-21;1-13-2-5-19(27)17(22-13)11-25-18-10-14(12-26)3-4-16(18)24-20(25)23-15-6-8-21-9-7-15;1-6-3-7(2)5-8(9)4-6;1-2-8-5(7)3-4-6;2-1-3;;;;/h6-9,16-19,26,34,40H,5,10-15,20-21H2,1-4H3,(H,36,37);4-7,14-17,24,33,39H,8-13,18-19H2,1-3H3,(H2,32,40)(H,35,36);4-7,14,19,31-32H,3,8-13,15-16H2,1-2H3,(H,27,28);4-7,14,16,19,32H,3,8-13,15H2,1-2H3,(H,27,28);2-5,10,15,21,26-27H,6-9,11-12H2,1H3,(H,23,24);3-5H,9H2,1-2H3;2-4H2,1H3;1H2;1H4
• InChIKey: AYHGOBYVIGHAJA-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 629.88 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 47
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2903.14
LogP ≤ 5	23.16
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;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

The IUPAC name of dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane (CID 158801293) is dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane.

What is the SMILES notation for dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

The canonical SMILES for dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane is C.CCOC(=O)CCBr.CCOC(=O)CCN1CCC(Nc2nc3ccc(C=O)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CCN1CCC(Nc2nc3ccc(CNc4cc(C)cc(C)c4)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CCN1CCC(Nc2nc3ccc(CO)cc3n2Cc2nc(C)ccc2O)CC1.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(CCC(N)=O)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3ccc(CO)cc32)n1.ClCCl.O=[Mn]=O.

What is the InChIKey of dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

The InChIKey is AYHGOBYVIGHAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O3.C31H39N7O2.C25H33N5O4.C25H31N5O4.C20H25N5O2.C8H11N.C5H9BrO2.CH2Cl2.CH4.Mn.2O/c1-5-42-32(41)12-15-38-13-10-26(11-14-38)36-33-37-28-8-7-25(20-34-27-17-22(2)16-23(3)18-27)19-30(28)39(33)21-29-31(40)9-6-24(4)35-29;1-20-14-21(2)16-25(15-20)33-18-23-5-6-26-28(17-23)38(19-27-29(39)7-4-22(3)34-27)31(36-26)35-24-8-11-37(12-9-24)13-10-30(32)40;2*1-3-34-24(33)10-13-29-11-8-19(9-12-29)27-25-28-20-6-5-18(16-31)14-22(20)30(25)15-21-23(32)7-4-17(2)26-21;1-13-2-5-19(27)17(22-13)11-25-18-10-14(12-26)3-4-16(18)24-20(25)23-15-6-8-21-9-7-15;1-6-3-7(2)5-8(9)4-6;1-2-8-5(7)3-4-6;2-1-3;;;;/h6-9,16-19,26,34,40H,5,10-15,20-21H2,1-4H3,(H,36,37);4-7,14-17,24,33,39H,8-13,18-19H2,1-3H3,(H2,32,40)(H,35,36);4-7,14,19,31-32H,3,8-13,15-16H2,1-2H3,(H,27,28);4-7,14,16,19,32H,3,8-13,15H2,1-2H3,(H,27,28);2-5,10,15,21,26-27H,6-9,11-12H2,1H3,(H,23,24);3-5H,9H2,1-2H3;2-4H2,1H3;1H2;1H4;;;.

What are the key properties of dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane has a molecular weight of 2903.14 g/mol, XLogP of 23.16, 47 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanamide;dioxomanganese;ethyl 3-bromopropanoate;ethyl 3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;ethyl 3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane is sourced from PubChem (CID 158801293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).