4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline

C148H119F13N30O2 — CID 158117309

IUPAC4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline
SMILESCC(=O)c1cccc(C(c2ccncc2)c2cnc[nH]2)c1F.CN(C)c1ccc(C(c2ccncc2)c2cnc[nH]2)cc1.Cc1cc(C(c2cnc[nH]2)c2cccc(F)c2F)ccn1.Fc1c(C(c2ccncc2)c2cnc[nH]2)cccc1C(F)(F)F.Fc1cccc(C(c2ccc[nH]2)c2cnc[nH]2)c1F.Fc1cccc(C(c2ccncn2)c2cnc[nH]2)c1F.N#CCc1ccc(F)c(C(c2ccncc2)c2cnc[nH]2)c1.O=C(c1ccccc1)c1cccc(C(c2ccncc2)c2cnc[nH]2)c1F.c1ccc(C(c2ccncc2)c2cnc[nH]2)cc1
InChIInChI=1S/C22H16FN3O.C17H13FN4.C17H14FN3O.C17H18N4.C16H11F4N3.C16H13F2N3.C15H13N3.C14H10F2N4.C14H11F2N3/c23-21-17(7-4-8-18(21)22(27)16-5-2-1-3-6-16)20(19-13-25-14-26-19)15-9-11-24-12-10-15;18-15-2-1-12(3-6-19)9-14(15)17(16-10-21-11-22-16)13-4-7-20-8-5-13;1-11(22)13-3-2-4-14(17(13)18)16(15-9-20-10-21-15)12-5-7-19-8-6-12;1-21(2)15-5-3-13(4-6-15)17(16-11-19-12-20-16)14-7-9-18-10-8-14;17-15-11(2-1-3-12(15)16(18,19)20)14(13-8-22-9-23-13)10-4-6-21-7-5-10;1-10-7-11(5-6-20-10)15(14-8-19-9-21-14)12-3-2-4-13(17)16(12)18;1-2-4-12(5-3-1)15(14-10-17-11-18-14)13-6-8-16-9-7-13;15-10-3-1-2-9(14(10)16)13(12-6-18-8-20-12)11-4-5-17-7-19-11;15-10-4-1-3-9(14(10)16)13(11-5-2-6-18-11)12-7-17-8-19-12/h1-14,20H,(H,25,26);1-2,4-5,7-11,17H,3H2,(H,21,22);2-10,16H,1H3,(H,20,21);3-12,17H,1-2H3,(H,19,20);1-9,14H,(H,22,23);2-9,15H,1H3,(H,19,21);1-11,15H,(H,17,18);1-8,13H,(H,18,20);1-8,13,18H,(H,17,19)
InChIKeyFREBGIAYCLNKMP-UHFFFAOYSA-N
MW2596.76 g/mol
LogP30.48
Rot. Bonds32

About 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline

4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline (PubChem CID 158117309) has the molecular formula C148H119F13N30O2 and a molecular weight of 2596.76 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline
PubChem CID158117309
Molecular FormulaC148H119F13N30O2
Molecular Weight2596.76 g/mol
Exact Mass2594.99
IUPAC Name4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline
SMILESCC(=O)c1cccc(C(c2ccncc2)c2cnc[nH]2)c1F.CN(C)c1ccc(C(c2ccncc2)c2cnc[nH]2)cc1.Cc1cc(C(c2cnc[nH]2)c2cccc(F)c2F)ccn1.Fc1c(C(c2ccncc2)c2cnc[nH]2)cccc1C(F)(F)F.Fc1cccc(C(c2ccc[nH]2)c2cnc[nH]2)c1F.Fc1cccc(C(c2ccncn2)c2cnc[nH]2)c1F.N#CCc1ccc(F)c(C(c2ccncc2)c2cnc[nH]2)c1.O=C(c1ccccc1)c1cccc(C(c2ccncc2)c2cnc[nH]2)c1F.c1ccc(C(c2ccncc2)c2cnc[nH]2)cc1
InChIInChI=1S/C22H16FN3O.C17H13FN4.C17H14FN3O.C17H18N4.C16H11F4N3.C16H13F2N3.C15H13N3.C14H10F2N4.C14H11F2N3/c23-21-17(7-4-8-18(21)22(27)16-5-2-1-3-6-16)20(19-13-25-14-26-19)15-9-11-24-12-10-15;18-15-2-1-12(3-6-19)9-14(15)17(16-10-21-11-22-16)13-4-7-20-8-5-13;1-11(22)13-3-2-4-14(17(13)18)16(15-9-20-10-21-15)12-5-7-19-8-6-12;1-21(2)15-5-3-13(4-6-15)17(16-11-19-12-20-16)14-7-9-18-10-8-14;17-15-11(2-1-3-12(15)16(18,19)20)14(13-8-22-9-23-13)10-4-6-21-7-5-10;1-10-7-11(5-6-20-10)15(14-8-19-9-21-14)12-3-2-4-13(17)16(12)18;1-2-4-12(5-3-1)15(14-10-17-11-18-14)13-6-8-16-9-7-13;15-10-3-1-2-9(14(10)16)13(12-6-18-8-20-12)11-4-5-17-7-19-11;15-10-4-1-3-9(14(10)16)13(11-5-2-6-18-11)12-7-17-8-19-12/h1-14,20H,(H,25,26);1-2,4-5,7-11,17H,3H2,(H,21,22);2-10,16H,1H3,(H,20,21);3-12,17H,1-2H3,(H,19,20);1-9,14H,(H,22,23);2-9,15H,1H3,(H,19,21);1-11,15H,(H,17,18);1-8,13H,(H,18,20);1-8,13,18H,(H,17,19)
InChIKeyFREBGIAYCLNKMP-UHFFFAOYSA-N
XLogP30.48
TPSA451.09 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002596.76
LogP ≤ 530.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline with MolForge

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Related Compounds

3-[2-(3H-imidazo[4,5-c]pyridin-7-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 87616950
[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278
[(3R,4R)-4-[[2,6-difluoro-3-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 129131028
N-[5-[6-fluoro-7-[4-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034654
N-[5-[6-fluoro-7-[2-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034805
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157053327
3-[1-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]phenyl]propan-1-one;1H-pyrrolo[2,3-b]pyridine
CID 157188339
5-[3-(4-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212945
(3-Fluoro-2-iodophenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157254341
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
(3-Fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-5-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
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N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 157294126

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline (CID 158117309) is 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline is CC(=O)c1cccc(C(c2ccncc2)c2cnc[nH]2)c1F.CN(C)c1ccc(C(c2ccncc2)c2cnc[nH]2)cc1.Cc1cc(C(c2cnc[nH]2)c2cccc(F)c2F)ccn1.Fc1c(C(c2ccncc2)c2cnc[nH]2)cccc1C(F)(F)F.Fc1cccc(C(c2ccc[nH]2)c2cnc[nH]2)c1F.Fc1cccc(C(c2ccncn2)c2cnc[nH]2)c1F.N#CCc1ccc(F)c(C(c2ccncc2)c2cnc[nH]2)c1.O=C(c1ccccc1)c1cccc(C(c2ccncc2)c2cnc[nH]2)c1F.c1ccc(C(c2ccncc2)c2cnc[nH]2)cc1.
What is the InChIKey of 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline?
The InChIKey is FREBGIAYCLNKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O.C17H13FN4.C17H14FN3O.C17H18N4.C16H11F4N3.C16H13F2N3.C15H13N3.C14H10F2N4.C14H11F2N3/c23-21-17(7-4-8-18(21)22(27)16-5-2-1-3-6-16)20(19-13-25-14-26-19)15-9-11-24-12-10-15;18-15-2-1-12(3-6-19)9-14(15)17(16-10-21-11-22-16)13-4-7-20-8-5-13;1-11(22)13-3-2-4-14(17(13)18)16(15-9-20-10-21-15)12-5-7-19-8-6-12;1-21(2)15-5-3-13(4-6-15)17(16-11-19-12-20-16)14-7-9-18-10-8-14;17-15-11(2-1-3-12(15)16(18,19)20)14(13-8-22-9-23-13)10-4-6-21-7-5-10;1-10-7-11(5-6-20-10)15(14-8-19-9-21-14)12-3-2-4-13(17)16(12)18;1-2-4-12(5-3-1)15(14-10-17-11-18-14)13-6-8-16-9-7-13;15-10-3-1-2-9(14(10)16)13(12-6-18-8-20-12)11-4-5-17-7-19-11;15-10-4-1-3-9(14(10)16)13(11-5-2-6-18-11)12-7-17-8-19-12/h1-14,20H,(H,25,26);1-2,4-5,7-11,17H,3H2,(H,21,22);2-10,16H,1H3,(H,20,21);3-12,17H,1-2H3,(H,19,20);1-9,14H,(H,22,23);2-9,15H,1H3,(H,19,21);1-11,15H,(H,17,18);1-8,13H,(H,18,20);1-8,13,18H,(H,17,19).
What are the key properties of 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline?
4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline has a molecular weight of 2596.76 g/mol, XLogP of 30.48, 32 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 158117309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).