lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane

C115H120AlClLiN21O18 — CID 161355176

IUPAClithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane
SMILESC1CCOC1.CCOC(=O)c1ccc2c(c1)ncn2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc[nH]c2c1.CCOC(=O)c1ccc2ncn(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2cnc3cc(C=O)ccc32)n1.Cc1ccc(O)c(Cn2cnc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2cnc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2cnc3ccc(CO)cc32)n1.[AlH3].[H-].[Li+]
InChIInChI=1S/2C17H17N3O3.C15H15N3O2.C15H13N3O2.C15H15N3O2.C15H13N3O2.C10H10N2O2.C7H8ClNO.C4H8O.Al.Li.4H/c1-3-23-17(22)12-5-6-15-13(8-12)18-10-20(15)9-14-16(21)7-4-11(2)19-14;1-3-23-17(22)12-5-6-13-15(8-12)20(10-18-13)9-14-16(21)7-4-11(2)19-14;2*1-10-2-5-15(20)13(17-10)7-18-9-16-12-6-11(8-19)3-4-14(12)18;2*1-10-2-5-15(20)13(17-10)7-18-9-16-12-4-3-11(8-19)6-14(12)18;1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;/h2*4-8,10,21H,3,9H2,1-2H3;2-6,9,19-20H,7-8H2,1H3;2-6,8-9,20H,7H2,1H3;2-6,9,19-20H,7-8H2,1H3;2-6,8-9,20H,7H2,1H3;3-6H,2H2,1H3,(H,11,12);2-3,10H,4H2,1H3;1-4H2;;;;;;/q;;;;;;;;;;+1;;;;-1
InChIKeyLFUFTIVKGXPHHQ-UHFFFAOYSA-N
MW2153.73 g/mol
LogP14.23
Rot. Bonds23

About lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane

lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane (PubChem CID 161355176) has the molecular formula C115H120AlClLiN21O18 and a molecular weight of 2153.73 g/mol. Its IUPAC name is lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane.

Molecular Properties

Compound Namelithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane
PubChem CID161355176
Molecular FormulaC115H120AlClLiN21O18
Molecular Weight2153.73 g/mol
Exact Mass2151.88
IUPAC Namelithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane
SMILESC1CCOC1.CCOC(=O)c1ccc2c(c1)ncn2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc[nH]c2c1.CCOC(=O)c1ccc2ncn(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2cnc3cc(C=O)ccc32)n1.Cc1ccc(O)c(Cn2cnc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2cnc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2cnc3ccc(CO)cc32)n1.[AlH3].[H-].[Li+]
InChIInChI=1S/2C17H17N3O3.C15H15N3O2.C15H13N3O2.C15H15N3O2.C15H13N3O2.C10H10N2O2.C7H8ClNO.C4H8O.Al.Li.4H/c1-3-23-17(22)12-5-6-15-13(8-12)18-10-20(15)9-14-16(21)7-4-11(2)19-14;1-3-23-17(22)12-5-6-13-15(8-12)20(10-18-13)9-14-16(21)7-4-11(2)19-14;2*1-10-2-5-15(20)13(17-10)7-18-9-16-12-6-11(8-19)3-4-14(12)18;2*1-10-2-5-15(20)13(17-10)7-18-9-16-12-4-3-11(8-19)6-14(12)18;1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;/h2*4-8,10,21H,3,9H2,1-2H3;2-6,9,19-20H,7-8H2,1H3;2-6,8-9,20H,7H2,1H3;2-6,9,19-20H,7-8H2,1H3;2-6,8-9,20H,7H2,1H3;3-6H,2H2,1H3,(H,11,12);2-3,10H,4H2,1H3;1-4H2;;;;;;/q;;;;;;;;;;+1;;;;-1
InChIKeyLFUFTIVKGXPHHQ-UHFFFAOYSA-N
XLogP14.23
TPSA530.17 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds23
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.73
LogP ≤ 514.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

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'}

Analyze lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;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
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
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-3-(2,3-dimethyl-5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazole-5-carbaldehyde;[2-amino-1-(2,3-dimethyl-5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-5-yl]methanol;[2-amino-3-(2,3-dimethyl-5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-5-yl]methanol;5-bromo-2,3-dimethyl-5,6,7,8-tetrahydroquinoxaline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(2,3-dimethyl-5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(2,3-dimethyl-5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazole-5-carboxylate;hydride;oxolane
CID 157985406
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
3-Chloropropane-1-sulfonamide;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]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
CID 158051693

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane?
The IUPAC name of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane (CID 161355176) is lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane.
What is the SMILES notation for lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane?
The canonical SMILES for lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane is C1CCOC1.CCOC(=O)c1ccc2c(c1)ncn2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc[nH]c2c1.CCOC(=O)c1ccc2ncn(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2cnc3cc(C=O)ccc32)n1.Cc1ccc(O)c(Cn2cnc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2cnc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2cnc3ccc(CO)cc32)n1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane?
The InChIKey is LFUFTIVKGXPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17N3O3.C15H15N3O2.C15H13N3O2.C15H15N3O2.C15H13N3O2.C10H10N2O2.C7H8ClNO.C4H8O.Al.Li.4H/c1-3-23-17(22)12-5-6-15-13(8-12)18-10-20(15)9-14-16(21)7-4-11(2)19-14;1-3-23-17(22)12-5-6-13-15(8-12)20(10-18-13)9-14-16(21)7-4-11(2)19-14;2*1-10-2-5-15(20)13(17-10)7-18-9-16-12-6-11(8-19)3-4-14(12)18;2*1-10-2-5-15(20)13(17-10)7-18-9-16-12-4-3-11(8-19)6-14(12)18;1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;/h2*4-8,10,21H,3,9H2,1-2H3;2-6,9,19-20H,7-8H2,1H3;2-6,8-9,20H,7H2,1H3;2-6,9,19-20H,7-8H2,1H3;2-6,8-9,20H,7H2,1H3;3-6H,2H2,1H3,(H,11,12);2-3,10H,4H2,1H3;1-4H2;;;;;;/q;;;;;;;;;;+1;;;;-1.
What are the key properties of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane?
lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane has a molecular weight of 2153.73 g/mol, XLogP of 14.23, 23 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carbaldehyde;oxolane is sourced from PubChem (CID 161355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).