3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

C139H196Cl3MnN27O18 — CID 159810622

IUPAC3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
SMILESC.C.C.COc1ccc(C)nc1CCl.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2cc(CO)ccc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(C=O)cc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CNc3cc(C)ccc3CCCO)cc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CO)cc21.Cc1ccc(CCCO)c(N)c1.ClCCl.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1
InChIInChI=1S/C33H44N6O3.2C23H31N5O3.C23H29N5O3.C15H22N4O2.C10H15NO.C8H10ClNO.CH2Cl2.3CH4.Mn.2O/c1-24-7-10-27(6-4-17-40)29(20-24)35-22-26-9-11-28-31(21-26)39(23-30-32(41-3)12-8-25(2)36-30)33(37-28)34-13-5-14-38-15-18-42-19-16-38;1-17-4-7-22(30-2)20(25-17)15-28-21-6-5-18(16-29)14-19(21)26-23(28)24-8-3-9-27-10-12-31-13-11-27;2*1-17-4-7-22(30-2)20(25-17)15-28-21-14-18(16-29)5-6-19(21)26-23(28)24-8-3-9-27-10-12-31-13-11-27;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-6-3-4-8(11-2)7(5-9)10-6;2-1-3;;;;;;/h7-12,20-21,35,40H,4-6,13-19,22-23H2,1-3H3,(H,34,37);2*4-7,14,29H,3,8-13,15-16H2,1-2H3,(H,24,26);4-7,14,16H,3,8-13,15H2,1-2H3,(H,24,26);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;3-4H,5H2,1-2H3;1H2;3*1H4;;;
InChIKeyBAIOCTHIPCOPMV-UHFFFAOYSA-N
MW2694.56 g/mol
LogP20.28
Rot. Bonds52

About 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol

3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (PubChem CID 159810622) has the molecular formula C139H196Cl3MnN27O18 and a molecular weight of 2694.56 g/mol. Its IUPAC name is 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
PubChem CID159810622
Molecular FormulaC139H196Cl3MnN27O18
Molecular Weight2694.56 g/mol
Exact Mass2691.37
IUPAC Name3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
SMILESC.C.C.COc1ccc(C)nc1CCl.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2cc(CO)ccc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(C=O)cc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CNc3cc(C)ccc3CCCO)cc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CO)cc21.Cc1ccc(CCCO)c(N)c1.ClCCl.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1
InChIInChI=1S/C33H44N6O3.2C23H31N5O3.C23H29N5O3.C15H22N4O2.C10H15NO.C8H10ClNO.CH2Cl2.3CH4.Mn.2O/c1-24-7-10-27(6-4-17-40)29(20-24)35-22-26-9-11-28-31(21-26)39(23-30-32(41-3)12-8-25(2)36-30)33(37-28)34-13-5-14-38-15-18-42-19-16-38;1-17-4-7-22(30-2)20(25-17)15-28-21-6-5-18(16-29)14-19(21)26-23(28)24-8-3-9-27-10-12-31-13-11-27;2*1-17-4-7-22(30-2)20(25-17)15-28-21-14-18(16-29)5-6-19(21)26-23(28)24-8-3-9-27-10-12-31-13-11-27;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-6-3-4-8(11-2)7(5-9)10-6;2-1-3;;;;;;/h7-12,20-21,35,40H,4-6,13-19,22-23H2,1-3H3,(H,34,37);2*4-7,14,29H,3,8-13,15-16H2,1-2H3,(H,24,26);4-7,14,16H,3,8-13,15H2,1-2H3,(H,24,26);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;3-4H,5H2,1-2H3;1H2;3*1H4;;;
InChIKeyBAIOCTHIPCOPMV-UHFFFAOYSA-N
XLogP20.28
TPSA523.47 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds52
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002694.56
LogP ≤ 520.28
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

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 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol with MolForge

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride
CID 162064808
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
lithium;alumane;2-[[6-(chloromethyl)-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(methoxycarbonylamino)benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(methoxycarbonylamino)benzimidazole-5-carboxylate;ethyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate;hydride;2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5-(hydroxymethyl)-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-(3-methylanilino)ethanol;oxolane
CID 157299650
benzoic acid;2-(chloromethyl)-6-methyl-3-phenylmethoxypyridine;methanol;1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-5-amine;bis(3-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-5-amine);1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-5-nitrobenzimidazole;1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-6-nitrobenzimidazole;6-nitro-1H-benzimidazole
CID 157350565
potassium;1-amino-3-morpholin-4-ylpropan-2-ol;(2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;2-(chloromethyl)oxirane;ethanol;hydrazine;1-[[6-(hydroxymethyl)-1H-benzimidazol-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;2-[[6-(hydroxymethyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione;isoindol-2-ide-1,3-dione;methane;morpholine;4-(oxiran-2-ylmethyl)morpholine;dihydrochloride
CID 157357106
CID 157665393
CID 157665393
3-(2-Amino-4-methylphenyl)propan-1-ol;4-bromo-2-(chloromethyl)phenol;4-bromo-2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;4-bromo-2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;3-[(5-bromo-2-hydroxyphenyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;4-bromo-2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]phenol;dichloromethane;dioxomanganese;methane;[2-(3-morpholin-4-ylpropylimino)-1,3-dihydroindol-5-yl]methanol
CID 157693158
3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 157770876
CID 157811046
CID 157811046
CID 157864474
CID 157864474
CID 157910987
CID 157910987
Lithium;dipotassium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;dioxomanganese;ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-1-methylbenzimidazole-5-carboxylate;bis(ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-imino-1-methylbenzimidazole-5-carboxylate);hydride;2-[[6-(hydroxymethyl)-2-imino-3-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methyl acetate;molecular chlorine;oxido formate;oxolane
CID 157974704

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
The IUPAC name of 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol (CID 159810622) is 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is C.C.C.COc1ccc(C)nc1CCl.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2cc(CO)ccc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(C=O)cc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CNc3cc(C)ccc3CCCO)cc21.COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CO)cc21.Cc1ccc(CCCO)c(N)c1.ClCCl.O=[Mn]=O.OCc1ccc2nc(NCCCN3CCOCC3)[nH]c2c1.
What is the InChIKey of 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
The InChIKey is BAIOCTHIPCOPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O3.2C23H31N5O3.C23H29N5O3.C15H22N4O2.C10H15NO.C8H10ClNO.CH2Cl2.3CH4.Mn.2O/c1-24-7-10-27(6-4-17-40)29(20-24)35-22-26-9-11-28-31(21-26)39(23-30-32(41-3)12-8-25(2)36-30)33(37-28)34-13-5-14-38-15-18-42-19-16-38;1-17-4-7-22(30-2)20(25-17)15-28-21-6-5-18(16-29)14-19(21)26-23(28)24-8-3-9-27-10-12-31-13-11-27;2*1-17-4-7-22(30-2)20(25-17)15-28-21-14-18(16-29)5-6-19(21)26-23(28)24-8-3-9-27-10-12-31-13-11-27;20-11-12-2-3-13-14(10-12)18-15(17-13)16-4-1-5-19-6-8-21-9-7-19;1-8-4-5-9(3-2-6-12)10(11)7-8;1-6-3-4-8(11-2)7(5-9)10-6;2-1-3;;;;;;/h7-12,20-21,35,40H,4-6,13-19,22-23H2,1-3H3,(H,34,37);2*4-7,14,29H,3,8-13,15-16H2,1-2H3,(H,24,26);4-7,14,16H,3,8-13,15H2,1-2H3,(H,24,26);2-3,10,20H,1,4-9,11H2,(H2,16,17,18);4-5,7,12H,2-3,6,11H2,1H3;3-4H,5H2,1-2H3;1H2;3*1H4;;;.
What are the key properties of 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol?
3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol has a molecular weight of 2694.56 g/mol, XLogP of 20.28, 52 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylphenyl)propan-1-ol;2-(chloromethyl)-3-methoxy-6-methylpyridine;dichloromethane;dioxomanganese;methane;3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;3-[2-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methylamino]-4-methylphenyl]propan-1-ol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 159810622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).