[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole

C159H121F11N28O16 — CID 158441868

IUPAC[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole
SMILESCOC(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.COc1cc(C(=O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C(O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C(OC)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.Fc1cc(OCc2nc3ccccc3[nH]2)c(F)cc1Cc1c[nH]c2ncccc12.O=C(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.OC(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12
InChIInChI=1S/C24H21FN4O3.C23H18F2N4O2.C23H19FN4O3.C23H17FN4O3.C22H16F2N4O2.C22H14F2N4O2.C22H16F2N4O/c1-30-20-10-15(23(31-2)16-12-27-24-14(16)6-5-9-26-24)17(25)11-21(20)32-13-22-28-18-7-3-4-8-19(18)29-22;1-30-22(15-11-27-23-13(15)5-4-8-26-23)14-9-17(25)20(10-16(14)24)31-12-21-28-18-6-2-3-7-19(18)29-21;2*1-30-19-9-14(22(29)15-11-26-23-13(15)5-4-8-25-23)16(24)10-20(19)31-12-21-27-17-6-2-3-7-18(17)28-21;2*23-15-9-19(30-11-20-27-17-5-1-2-6-18(17)28-20)16(24)8-13(15)21(29)14-10-26-22-12(14)4-3-7-25-22;23-16-10-20(29-12-21-27-18-5-1-2-6-19(18)28-21)17(24)9-13(16)8-14-11-26-22-15(14)4-3-7-25-22/h3-12,23H,13H2,1-2H3,(H,26,27)(H,28,29);2-11,22H,12H2,1H3,(H,26,27)(H,28,29);2-11,22,29H,12H2,1H3,(H,25,26)(H,27,28);2-11H,12H2,1H3,(H,25,26)(H,27,28);1-10,21,29H,11H2,(H,25,26)(H,27,28);1-10H,11H2,(H,25,26)(H,27,28);1-7,9-11H,8,12H2,(H,25,26)(H,27,28)
InChIKeyHCXNRNZVHHCACQ-UHFFFAOYSA-N
MW2888.87 g/mol
LogP32.37
Rot. Bonds40

About [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole

[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole (PubChem CID 158441868) has the molecular formula C159H121F11N28O16 and a molecular weight of 2888.87 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole
PubChem CID158441868
Molecular FormulaC159H121F11N28O16
Molecular Weight2888.87 g/mol
Exact Mass2886.93
IUPAC Name[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole
SMILESCOC(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.COc1cc(C(=O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C(O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C(OC)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.Fc1cc(OCc2nc3ccccc3[nH]2)c(F)cc1Cc1c[nH]c2ncccc12.O=C(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.OC(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12
InChIInChI=1S/C24H21FN4O3.C23H18F2N4O2.C23H19FN4O3.C23H17FN4O3.C22H16F2N4O2.C22H14F2N4O2.C22H16F2N4O/c1-30-20-10-15(23(31-2)16-12-27-24-14(16)6-5-9-26-24)17(25)11-21(20)32-13-22-28-18-7-3-4-8-19(18)29-22;1-30-22(15-11-27-23-13(15)5-4-8-26-23)14-9-17(25)20(10-16(14)24)31-12-21-28-18-6-2-3-7-19(18)29-21;2*1-30-19-9-14(22(29)15-11-26-23-13(15)5-4-8-25-23)16(24)10-20(19)31-12-21-27-17-6-2-3-7-18(17)28-21;2*23-15-9-19(30-11-20-27-17-5-1-2-6-18(17)28-20)16(24)8-13(15)21(29)14-10-26-22-12(14)4-3-7-25-22;23-16-10-20(29-12-21-27-18-5-1-2-6-19(18)28-21)17(24)9-13(16)8-14-11-26-22-15(14)4-3-7-25-22/h3-12,23H,13H2,1-2H3,(H,26,27)(H,28,29);2-11,22H,12H2,1H3,(H,26,27)(H,28,29);2-11,22,29H,12H2,1H3,(H,25,26)(H,27,28);2-11H,12H2,1H3,(H,25,26)(H,27,28);1-10,21,29H,11H2,(H,25,26)(H,27,28);1-10H,11H2,(H,25,26)(H,27,28);1-7,9-11H,8,12H2,(H,25,26)(H,27,28)
InChIKeyHCXNRNZVHHCACQ-UHFFFAOYSA-N
XLogP32.37
TPSA586.88 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.87
LogP ≤ 532.37
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087454
[4-(1H-benzimidazol-2-ylmethoxy)-5-ethoxy-2-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 69217494
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 71085442
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 157894266
3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 161026421
(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis((4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one)
CID 165071048
2-[3-[3-[[(2R,3S,4R,5R)-5-(6-amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-5-(2-anilino-6-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid
CID 167548291
2-[3-[3-[[(2R,3S,4R,5R)-5-(2-anilino-6-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methyl-2-phenylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid
CID 167559114
[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 143713021
4-amino-N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide;3-amino-N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
CID 157259630
6-[2-[4-(Dimethylamino)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-5-carboxylic acid;7-isoquinolin-7-yloxyimidazo[1,2-a]pyridine-5-carboxylic acid;7-(2-methoxyphenoxy)imidazo[1,2-a]pyridine-5-carboxylic acid;7-phenoxyimidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-piperidin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157324489
CID 157763939
CID 157763939

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole (CID 158441868) is [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole is COC(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.COc1cc(C(=O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C(O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C(OC)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.Fc1cc(OCc2nc3ccccc3[nH]2)c(F)cc1Cc1c[nH]c2ncccc12.O=C(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.OC(c1cc(F)c(OCc2nc3ccccc3[nH]2)cc1F)c1c[nH]c2ncccc12.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole?
The InChIKey is HCXNRNZVHHCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3.C23H18F2N4O2.C23H19FN4O3.C23H17FN4O3.C22H16F2N4O2.C22H14F2N4O2.C22H16F2N4O/c1-30-20-10-15(23(31-2)16-12-27-24-14(16)6-5-9-26-24)17(25)11-21(20)32-13-22-28-18-7-3-4-8-19(18)29-22;1-30-22(15-11-27-23-13(15)5-4-8-26-23)14-9-17(25)20(10-16(14)24)31-12-21-28-18-6-2-3-7-19(18)29-21;2*1-30-19-9-14(22(29)15-11-26-23-13(15)5-4-8-25-23)16(24)10-20(19)31-12-21-27-17-6-2-3-7-18(17)28-21;2*23-15-9-19(30-11-20-27-17-5-1-2-6-18(17)28-20)16(24)8-13(15)21(29)14-10-26-22-12(14)4-3-7-25-22;23-16-10-20(29-12-21-27-18-5-1-2-6-19(18)28-21)17(24)9-13(16)8-14-11-26-22-15(14)4-3-7-25-22/h3-12,23H,13H2,1-2H3,(H,26,27)(H,28,29);2-11,22H,12H2,1H3,(H,26,27)(H,28,29);2-11,22,29H,12H2,1H3,(H,25,26)(H,27,28);2-11H,12H2,1H3,(H,25,26)(H,27,28);1-10,21,29H,11H2,(H,25,26)(H,27,28);1-10H,11H2,(H,25,26)(H,27,28);1-7,9-11H,8,12H2,(H,25,26)(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole?
[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole has a molecular weight of 2888.87 g/mol, XLogP of 32.37, 40 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-[[2,5-difluoro-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole;2-[[2,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole;2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 158441868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).