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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde

C63H84Cl2MnN14O5 — CID 159699852

IUPACdichloromethane;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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde
SMILESCc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(C=O)cc32)n1.ClCCl.O=[Mn]=O
InChIInChI=1S/C31H41N7O.C23H30N6O2.C8H11N.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;1-17-4-7-22(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;1-6-3-7(2)5-8(9)4-6;2-1-3;;;/h6-9,16-19,33,39H,5,10-15,20-21H2,1-4H3,(H,32,35);4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,24,26);3-5H,9H2,1-2H3;1H2;;;
InChIKeyISSCXUUNHBQMSN-UHFFFAOYSA-N
MW1243.30 g/mol
LogP10.19
Rot. Bonds18

About 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde

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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde (PubChem CID 159699852) has the molecular formula C63H84Cl2MnN14O5 and a molecular weight of 1243.30 g/mol. Its IUPAC name is 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Namedichloromethane;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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde
PubChem CID159699852
Molecular FormulaC63H84Cl2MnN14O5
Molecular Weight1243.30 g/mol
Exact Mass1241.55
IUPAC Namedichloromethane;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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde
SMILESCc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(C=O)cc32)n1.ClCCl.O=[Mn]=O
InChIInChI=1S/C31H41N7O.C23H30N6O2.C8H11N.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;1-17-4-7-22(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;1-6-3-7(2)5-8(9)4-6;2-1-3;;;/h6-9,16-19,33,39H,5,10-15,20-21H2,1-4H3,(H,32,35);4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,24,26);3-5H,9H2,1-2H3;1H2;;;
InChIKeyISSCXUUNHBQMSN-UHFFFAOYSA-N
XLogP10.19
TPSA228.16 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001243.30
LogP ≤ 510.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

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'}

Analyze 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde with MolForge

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Related Compounds

2-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethanesulfonic acid
CID 142756887
2-[[6-[(3,5-dimethylanilino)methyl]-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 24801029
ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate
CID 24799094
2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70319389
2-[[6-[[1-ethyl-5-(2-hydroxyethylamino)pyrazol-4-yl]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 59833468
5-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-5-ium-2-one
CID 70320052
2-amino-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-3-(3-morpholin-4-ylpropyl)indole-6-carbaldehyde
CID 90748599
2-[[6-[[N-(2-hydroxyethyl)-3,5-dimethylanilino]methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 11168530
2-[[6-[(2-butyl-5-methylanilino)methyl]-2-[3-(dipropylamino)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 122698007
2-[[6-(3-aminopropyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
CID 159423862
6-methyl-2-[[2-(3-methylsulfanylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
CID 5279692
2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 5279689

Frequently Asked Questions

What is the IUPAC name of 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde?
The IUPAC name of 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde (CID 159699852) is 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde.
What is the SMILES notation for 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde?
The canonical SMILES for 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde is Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(C=O)cc32)n1.ClCCl.O=[Mn]=O.
What is the InChIKey of 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde?
The InChIKey is ISSCXUUNHBQMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O.C23H30N6O2.C8H11N.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;1-17-4-7-22(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;1-6-3-7(2)5-8(9)4-6;2-1-3;;;/h6-9,16-19,33,39H,5,10-15,20-21H2,1-4H3,(H,32,35);4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,24,26);3-5H,9H2,1-2H3;1H2;;;.
What are the key properties of 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde?
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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde has a molecular weight of 1243.30 g/mol, XLogP of 10.19, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde is sourced from PubChem (CID 159699852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).