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

C143H168AlCl2LiN30O24 — CID 157299650

IUPAClithium;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
SMILESC1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NC(=O)OC)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1.CCOC(=O)c1ccc2nc(NC(=O)OC)n(Cc3nc(C)ccc3O)c2c1.CNc1nc2cc(CO)ccc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CCl)cc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CN(CCO)c3cccc(C)c3)cc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CO)cc2n1Cc1nc(C)ccc1O.Cc1ccc(O)c(CCl)n1.Cc1cccc(NCCO)c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C25H29N5O2.2C19H20N4O5.C16H17ClN4O.2C16H18N4O2.C12H13N3O4.C9H13NO.C7H8ClNO.C4H8O.Al.Li.4H/c1-17-5-4-6-20(13-17)29(11-12-31)15-19-8-9-21-23(14-19)30(25(26-3)28-21)16-22-24(32)10-7-18(2)27-22;1-4-28-17(25)12-6-7-15-13(9-12)21-18(22-19(26)27-3)23(15)10-14-16(24)8-5-11(2)20-14;1-4-28-17(25)12-6-7-13-15(9-12)23(18(21-13)22-19(26)27-3)10-14-16(24)8-5-11(2)20-14;1-10-3-6-15(22)13(19-10)9-21-14-7-11(8-17)4-5-12(14)20-16(21)18-2;1-10-3-6-15(22)13(18-10)8-20-14-5-4-11(9-21)7-12(14)19-16(20)17-2;1-10-3-6-15(22)13(18-10)8-20-14-7-11(9-21)4-5-12(14)19-16(20)17-2;1-3-19-10(16)7-4-5-8-9(6-7)14-11(13-8)15-12(17)18-2;1-8-3-2-4-9(7-8)10-5-6-11;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;/h4-10,13-14,31-32H,11-12,15-16H2,1-3H3,(H,26,28);2*5-9,24H,4,10H2,1-3H3,(H,21,22,26);3-7,22H,8-9H2,1-2H3,(H,18,20);2*3-7,21-22H,8-9H2,1-2H3,(H,17,19);4-6H,3H2,1-2H3,(H2,13,14,15,17);2-4,7,10-11H,5-6H2,1H3;2-3,10H,4H2,1H3;1-4H2;;;;;;/q;;;;;;;;;;;+1;;;;-1
InChIKeyDXYRCBUYNCKOAE-UHFFFAOYSA-N
MW2795.93 g/mol
LogP18.75
Rot. Bonds37

About 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

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 (PubChem CID 157299650) has the molecular formula C143H168AlCl2LiN30O24 and a molecular weight of 2795.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID157299650
Molecular FormulaC143H168AlCl2LiN30O24
Molecular Weight2795.93 g/mol
Exact Mass2793.22
IUPAC Namelithium;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
SMILESC1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NC(=O)OC)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1.CCOC(=O)c1ccc2nc(NC(=O)OC)n(Cc3nc(C)ccc3O)c2c1.CNc1nc2cc(CO)ccc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CCl)cc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CN(CCO)c3cccc(C)c3)cc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CO)cc2n1Cc1nc(C)ccc1O.Cc1ccc(O)c(CCl)n1.Cc1cccc(NCCO)c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C25H29N5O2.2C19H20N4O5.C16H17ClN4O.2C16H18N4O2.C12H13N3O4.C9H13NO.C7H8ClNO.C4H8O.Al.Li.4H/c1-17-5-4-6-20(13-17)29(11-12-31)15-19-8-9-21-23(14-19)30(25(26-3)28-21)16-22-24(32)10-7-18(2)27-22;1-4-28-17(25)12-6-7-15-13(9-12)21-18(22-19(26)27-3)23(15)10-14-16(24)8-5-11(2)20-14;1-4-28-17(25)12-6-7-13-15(9-12)23(18(21-13)22-19(26)27-3)10-14-16(24)8-5-11(2)20-14;1-10-3-6-15(22)13(19-10)9-21-14-7-11(8-17)4-5-12(14)20-16(21)18-2;1-10-3-6-15(22)13(18-10)8-20-14-5-4-11(9-21)7-12(14)19-16(20)17-2;1-10-3-6-15(22)13(18-10)8-20-14-7-11(9-21)4-5-12(14)19-16(20)17-2;1-3-19-10(16)7-4-5-8-9(6-7)14-11(13-8)15-12(17)18-2;1-8-3-2-4-9(7-8)10-5-6-11;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;/h4-10,13-14,31-32H,11-12,15-16H2,1-3H3,(H,26,28);2*5-9,24H,4,10H2,1-3H3,(H,21,22,26);3-7,22H,8-9H2,1-2H3,(H,18,20);2*3-7,21-22H,8-9H2,1-2H3,(H,17,19);4-6H,3H2,1-2H3,(H2,13,14,15,17);2-4,7,10-11H,5-6H2,1H3;2-3,10H,4H2,1H3;1-4H2;;;;;;/q;;;;;;;;;;;+1;;;;-1
InChIKeyDXYRCBUYNCKOAE-UHFFFAOYSA-N
XLogP18.75
TPSA714.87 Ų
H-Bond Donors20
H-Bond Acceptors50
Rotatable Bonds37
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002795.93
LogP ≤ 518.75
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 157267996
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
2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;bis(ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrochloride
CID 157515694
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
lithium;alumane;[2-amino-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-5-yl]methanol;6-chloro-2-(chloromethyl)-3-phenylmethoxypyridine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;oxolane
CID 157999094
CID 158159906
CID 158159906
lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;oxolane;hydrochloride
CID 158226126

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NC(=O)OC)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1.CCOC(=O)c1ccc2nc(NC(=O)OC)n(Cc3nc(C)ccc3O)c2c1.CNc1nc2cc(CO)ccc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CCl)cc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CN(CCO)c3cccc(C)c3)cc2n1Cc1nc(C)ccc1O.CNc1nc2ccc(CO)cc2n1Cc1nc(C)ccc1O.Cc1ccc(O)c(CCl)n1.Cc1cccc(NCCO)c1.[AlH3].[H-].[Li+].
What is the InChIKey of 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?
The InChIKey is DXYRCBUYNCKOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.2C19H20N4O5.C16H17ClN4O.2C16H18N4O2.C12H13N3O4.C9H13NO.C7H8ClNO.C4H8O.Al.Li.4H/c1-17-5-4-6-20(13-17)29(11-12-31)15-19-8-9-21-23(14-19)30(25(26-3)28-21)16-22-24(32)10-7-18(2)27-22;1-4-28-17(25)12-6-7-15-13(9-12)21-18(22-19(26)27-3)23(15)10-14-16(24)8-5-11(2)20-14;1-4-28-17(25)12-6-7-13-15(9-12)23(18(21-13)22-19(26)27-3)10-14-16(24)8-5-11(2)20-14;1-10-3-6-15(22)13(19-10)9-21-14-7-11(8-17)4-5-12(14)20-16(21)18-2;1-10-3-6-15(22)13(18-10)8-20-14-5-4-11(9-21)7-12(14)19-16(20)17-2;1-10-3-6-15(22)13(18-10)8-20-14-7-11(9-21)4-5-12(14)19-16(20)17-2;1-3-19-10(16)7-4-5-8-9(6-7)14-11(13-8)15-12(17)18-2;1-8-3-2-4-9(7-8)10-5-6-11;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;/h4-10,13-14,31-32H,11-12,15-16H2,1-3H3,(H,26,28);2*5-9,24H,4,10H2,1-3H3,(H,21,22,26);3-7,22H,8-9H2,1-2H3,(H,18,20);2*3-7,21-22H,8-9H2,1-2H3,(H,17,19);4-6H,3H2,1-2H3,(H2,13,14,15,17);2-4,7,10-11H,5-6H2,1H3;2-3,10H,4H2,1H3;1-4H2;;;;;;/q;;;;;;;;;;;+1;;;;-1.
What are the key properties of 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?
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 has a molecular weight of 2795.93 g/mol, XLogP of 18.75, 37 rotatable bonds, 20 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157299650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).