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

C134H125ClN24O15 — CID 157350565

IUPACbenzoic 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
SMILESCO.Cc1ccc(OCc2ccccc2)c(CCl)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3cc(N)ccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3cc([N+](=O)[O-])ccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc(N)cc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc(N)cc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc([N+](=O)[O-])cc32)n1.O=C(O)c1ccccc1.O=[N+]([O-])c1ccc2nc[nH]c2c1
InChIInChI=1S/2C21H18N4O3.3C21H20N4O.C14H14ClNO.C7H5N3O2.C7H6O2.CH4O/c1-15-7-10-21(28-13-16-5-3-2-4-6-16)19(23-15)12-24-14-22-18-11-17(25(26)27)8-9-20(18)24;1-15-7-10-21(28-13-16-5-3-2-4-6-16)19(23-15)12-24-14-22-18-9-8-17(25(26)27)11-20(18)24;1-15-7-10-21(26-13-16-5-3-2-4-6-16)19(24-15)12-25-14-23-18-11-17(22)8-9-20(18)25;2*1-15-7-10-21(26-13-16-5-3-2-4-6-16)19(24-15)12-25-14-23-18-9-8-17(22)11-20(18)25;1-11-7-8-14(13(9-15)16-11)17-10-12-5-3-2-4-6-12;11-10(12)5-1-2-6-7(3-5)9-4-8-6;8-7(9)6-4-2-1-3-5-6;1-2/h2*2-11,14H,12-13H2,1H3;3*2-11,14H,12-13,22H2,1H3;2-8H,9-10H2,1H3;1-4H,(H,8,9);1-5H,(H,8,9);2H,1H3
InChIKeyBHMCDLCIPYMFSG-UHFFFAOYSA-N
MW2347.08 g/mol
LogP26.57
Rot. Bonds33

About 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

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 (PubChem CID 157350565) has the molecular formula C134H125ClN24O15 and a molecular weight of 2347.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzoic 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
PubChem CID157350565
Molecular FormulaC134H125ClN24O15
Molecular Weight2347.08 g/mol
Exact Mass2344.94
IUPAC Namebenzoic 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
SMILESCO.Cc1ccc(OCc2ccccc2)c(CCl)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3cc(N)ccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3cc([N+](=O)[O-])ccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc(N)cc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc(N)cc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc([N+](=O)[O-])cc32)n1.O=C(O)c1ccccc1.O=[N+]([O-])c1ccc2nc[nH]c2c1
InChIInChI=1S/2C21H18N4O3.3C21H20N4O.C14H14ClNO.C7H5N3O2.C7H6O2.CH4O/c1-15-7-10-21(28-13-16-5-3-2-4-6-16)19(23-15)12-24-14-22-18-11-17(25(26)27)8-9-20(18)24;1-15-7-10-21(28-13-16-5-3-2-4-6-16)19(23-15)12-24-14-22-18-9-8-17(25(26)27)11-20(18)24;1-15-7-10-21(26-13-16-5-3-2-4-6-16)19(24-15)12-25-14-23-18-11-17(22)8-9-20(18)25;2*1-15-7-10-21(26-13-16-5-3-2-4-6-16)19(24-15)12-25-14-23-18-9-8-17(22)11-20(18)25;1-11-7-8-14(13(9-15)16-11)17-10-12-5-3-2-4-6-12;11-10(12)5-1-2-6-7(3-5)9-4-8-6;8-7(9)6-4-2-1-3-5-6;1-2/h2*2-11,14H,12-13H2,1H3;3*2-11,14H,12-13,22H2,1H3;2-8H,9-10H2,1H3;1-4H,(H,8,9);1-5H,(H,8,9);2H,1H3
InChIKeyBHMCDLCIPYMFSG-UHFFFAOYSA-N
XLogP26.57
TPSA515.51 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.08
LogP ≤ 526.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-chloro-N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-purin-6-yl]oxy]phenyl]acetamide;(4-hydroxypiperidin-1-yl)-[3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]phenyl]methanone;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-phenylbenzamide;methane;N-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]propanamide;N-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]prop-2-enamide;N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-purin-6-yl]oxy]phenyl]prop-2-enamide
CID 157752153
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
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
7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine;1-ethyl-4-methoxybenzene;1H-imidazo[4,5-b]pyridine-7-carboxylic acid;1-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-4-propylpyrrolidin-2-one;[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;7-methyl-1H-imidazo[4,5-b]pyridine;bis(methyl 1H-imidazo[4,5-b]pyridine-7-carboxylate);4-methyl-3-nitropyridin-2-amine;4-propylpyrrolidin-2-one
CID 158714286
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;oxolane
CID 159793924
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
lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]benzimidazole-5-carboxylate;ethyl 2-[2-(4-methoxyphenyl)ethylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-(4-methoxyphenyl)ethanamine;oxolane;hydrochloride
CID 160000784
lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride
CID 160877572
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
lithium;alumane;(2-chloro-3H-benzimidazol-5-yl)methanol;2-(chloromethyl)-6-methylpyridin-3-ol;2-[[6-(chloromethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane;3-morpholin-4-ylpropan-1-amine;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol;oxolane;thionyl dichloride
CID 161837538
lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate;ethyl 2-(3-piperidin-1-ylpropylamino)-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;oxolane;3-piperidin-1-ylpropan-1-amine;hydrochloride
CID 161972057

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO.Cc1ccc(OCc2ccccc2)c(CCl)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3cc(N)ccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3cc([N+](=O)[O-])ccc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc(N)cc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc(N)cc32)n1.Cc1ccc(OCc2ccccc2)c(Cn2cnc3ccc([N+](=O)[O-])cc32)n1.O=C(O)c1ccccc1.O=[N+]([O-])c1ccc2nc[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is BHMCDLCIPYMFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18N4O3.3C21H20N4O.C14H14ClNO.C7H5N3O2.C7H6O2.CH4O/c1-15-7-10-21(28-13-16-5-3-2-4-6-16)19(23-15)12-24-14-22-18-11-17(25(26)27)8-9-20(18)24;1-15-7-10-21(28-13-16-5-3-2-4-6-16)19(23-15)12-24-14-22-18-9-8-17(25(26)27)11-20(18)24;1-15-7-10-21(26-13-16-5-3-2-4-6-16)19(24-15)12-25-14-23-18-11-17(22)8-9-20(18)25;2*1-15-7-10-21(26-13-16-5-3-2-4-6-16)19(24-15)12-25-14-23-18-9-8-17(22)11-20(18)25;1-11-7-8-14(13(9-15)16-11)17-10-12-5-3-2-4-6-12;11-10(12)5-1-2-6-7(3-5)9-4-8-6;8-7(9)6-4-2-1-3-5-6;1-2/h2*2-11,14H,12-13H2,1H3;3*2-11,14H,12-13,22H2,1H3;2-8H,9-10H2,1H3;1-4H,(H,8,9);1-5H,(H,8,9);2H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2347.08 g/mol, XLogP of 26.57, 33 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157350565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).