dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde

C63H82Cl2MnN12O5 — CID 158690797

IUPACdichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde
SMILESCc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCCCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NCCCN3CCCCC3)nc3ccc(C=O)cc32)n1.ClCCl.O=[Mn]=O
InChIInChI=1S/C31H40N6O.C23H29N5O2.C8H11N.CH2Cl2.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-9-10-27-29(19-25)37(21-28-30(38)11-8-24(3)34-28)31(35-27)32-12-7-15-36-13-5-4-6-14-36;1-17-6-9-22(30)20(25-17)15-28-21-14-18(16-29)7-8-19(21)26-23(28)24-10-5-13-27-11-3-2-4-12-27;1-6-3-7(2)5-8(9)4-6;2-1-3;;;/h8-11,16-19,33,38H,4-7,12-15,20-21H2,1-3H3,(H,32,35);6-9,14,16,30H,2-5,10-13,15H2,1H3,(H,24,26);3-5H,9H2,1-2H3;1H2;;;
InChIKeyKZBBQEGKHHTOHT-UHFFFAOYSA-N
MW1213.27 g/mol
LogP12.67
Rot. Bonds18

About dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde

dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde (PubChem CID 158690797) has the molecular formula C63H82Cl2MnN12O5 and a molecular weight of 1213.27 g/mol. Its IUPAC name is dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Namedichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde
PubChem CID158690797
Molecular FormulaC63H82Cl2MnN12O5
Molecular Weight1213.27 g/mol
Exact Mass1211.53
IUPAC Namedichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde
SMILESCc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCCCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NCCCN3CCCCC3)nc3ccc(C=O)cc32)n1.ClCCl.O=[Mn]=O
InChIInChI=1S/C31H40N6O.C23H29N5O2.C8H11N.CH2Cl2.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-9-10-27-29(19-25)37(21-28-30(38)11-8-24(3)34-28)31(35-27)32-12-7-15-36-13-5-4-6-14-36;1-17-6-9-22(30)20(25-17)15-28-21-14-18(16-29)7-8-19(21)26-23(28)24-10-5-13-27-11-3-2-4-12-27;1-6-3-7(2)5-8(9)4-6;2-1-3;;;/h8-11,16-19,33,38H,4-7,12-15,20-21H2,1-3H3,(H,32,35);6-9,14,16,30H,2-5,10-13,15H2,1H3,(H,24,26);3-5H,9H2,1-2H3;1H2;;;
InChIKeyKZBBQEGKHHTOHT-UHFFFAOYSA-N
XLogP12.67
TPSA221.68 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001213.27
LogP ≤ 512.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((3-hydroxy-6-methylpyridin-2-yl)methyl)-2-((3-morpholinopropyl)amino)-1H-benzo[d]imidazole-6-carbaldehyde
CID 16037963
tert-butyl N-[2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]carbamate
CID 24799804
3-[(3-Hydroxy-6-methyl-2-pyridinyl)methyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazole-5-carbaldehyde
CID 24799979
Ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate
CID 24800324
3-[(3-Hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carbaldehyde
CID 24800846
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde
CID 24800847
2-[(1-Benzylpiperidin-4-yl)amino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde
CID 57607071
Ethyl 3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propanoate
CID 57607079
3-[4-[[6-Formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide
CID 57607088
3-[(3-Hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde
CID 57607101
Ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetate
CID 57607112
1-[(3-Hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde
CID 58815512

Frequently Asked Questions

What is the IUPAC name of dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde?
The IUPAC name of dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde (CID 158690797) is dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde.
What is the SMILES notation for dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde?
The canonical SMILES for dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde is Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCCCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NCCCN3CCCCC3)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-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde?
The InChIKey is KZBBQEGKHHTOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O.C23H29N5O2.C8H11N.CH2Cl2.Mn.2O/c1-22-16-23(2)18-26(17-22)33-20-25-9-10-27-29(19-25)37(21-28-30(38)11-8-24(3)34-28)31(35-27)32-12-7-15-36-13-5-4-6-14-36;1-17-6-9-22(30)20(25-17)15-28-21-14-18(16-29)7-8-19(21)26-23(28)24-10-5-13-27-11-3-2-4-12-27;1-6-3-7(2)5-8(9)4-6;2-1-3;;;/h8-11,16-19,33,38H,4-7,12-15,20-21H2,1-3H3,(H,32,35);6-9,14,16,30H,2-5,10-13,15H2,1H3,(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-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde?
dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde has a molecular weight of 1213.27 g/mol, XLogP of 12.67, 18 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;3,5-dimethylaniline;2-[[6-[(3,5-dimethylanilino)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dioxomanganese;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carbaldehyde is sourced from PubChem (CID 158690797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).