2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine

C192H175FN36O8 — CID 157055456

IUPAC2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine
SMILESCCCc1nc2c(C)cc(-c3cn4c(n3)CCCC4)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3cn4cccnc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4cc(F)ccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3nc4cccnc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4cccnc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3nc4ncccn4c3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C33H29FN4O2.C32H29N9.2C32H29N5O2.C32H32N4O2.C31H27N9/c1-4-7-30-36-31-20(2)16-23(32-35-27-18-24(34)14-15-28(27)37(32)3)17-29(31)38(30)19-21-10-12-22(13-11-21)25-8-5-6-9-26(25)33(39)40;1-4-8-28-35-29-20(2)17-23(31-34-26-11-7-16-33-32(26)40(31)3)18-27(29)41(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)30-36-38-39-37-30;1-4-8-28-34-29-20(2)17-24(30-21(3)36-16-7-15-33-32(36)35-30)18-27(29)37(28)19-22-11-13-23(14-12-22)25-9-5-6-10-26(25)31(38)39;1-4-8-28-35-29-20(2)17-23(30-34-26-11-7-16-33-31(26)36(30)3)18-27(29)37(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)32(38)39;1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38;1-3-7-28-34-29-20(2)16-23(26-19-39-15-6-14-32-31(39)33-26)17-27(29)40(28)18-21-10-12-22(13-11-21)24-8-4-5-9-25(24)30-35-37-38-36-30/h5-6,8-18H,4,7,19H2,1-3H3,(H,39,40);5-7,9-18H,4,8,19H2,1-3H3,(H,36,37,38,39);2*5-7,9-18H,4,8,19H2,1-3H3,(H,38,39);4-5,9-10,12-15,17-18,20H,3,6-8,11,16,19H2,1-2H3,(H,37,38);4-6,8-17,19H,3,7,18H2,1-2H3,(H,35,36,37,38)
InChIKeyAARXDOFXBNZODD-UHFFFAOYSA-N
MW3133.75 g/mol
LogP39.75
Rot. Bonds42

About 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine

2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine (PubChem CID 157055456) has the molecular formula C192H175FN36O8 and a molecular weight of 3133.75 g/mol. Its IUPAC name is 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine
PubChem CID157055456
Molecular FormulaC192H175FN36O8
Molecular Weight3133.75 g/mol
Exact Mass3131.44
IUPAC Name2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine
SMILESCCCc1nc2c(C)cc(-c3cn4c(n3)CCCC4)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3cn4cccnc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4cc(F)ccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3nc4cccnc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4cccnc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3nc4ncccn4c3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C33H29FN4O2.C32H29N9.2C32H29N5O2.C32H32N4O2.C31H27N9/c1-4-7-30-36-31-20(2)16-23(32-35-27-18-24(34)14-15-28(27)37(32)3)17-29(31)38(30)19-21-10-12-22(13-11-21)25-8-5-6-9-26(25)33(39)40;1-4-8-28-35-29-20(2)17-23(31-34-26-11-7-16-33-32(26)40(31)3)18-27(29)41(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)30-36-38-39-37-30;1-4-8-28-34-29-20(2)17-24(30-21(3)36-16-7-15-33-32(36)35-30)18-27(29)37(28)19-22-11-13-23(14-12-22)25-9-5-6-10-26(25)31(38)39;1-4-8-28-35-29-20(2)17-23(30-34-26-11-7-16-33-31(26)36(30)3)18-27(29)37(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)32(38)39;1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38;1-3-7-28-34-29-20(2)16-23(26-19-39-15-6-14-32-31(39)33-26)17-27(29)40(28)18-21-10-12-22(13-11-21)24-8-4-5-9-25(24)30-35-37-38-36-30/h5-6,8-18H,4,7,19H2,1-3H3,(H,39,40);5-7,9-18H,4,8,19H2,1-3H3,(H,36,37,38,39);2*5-7,9-18H,4,8,19H2,1-3H3,(H,38,39);4-5,9-10,12-15,17-18,20H,3,6-8,11,16,19H2,1-2H3,(H,37,38);4-6,8-17,19H,3,7,18H2,1-2H3,(H,35,36,37,38)
InChIKeyAARXDOFXBNZODD-UHFFFAOYSA-N
XLogP39.75
TPSA522.48 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.75
LogP ≤ 539.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine;2-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-2-ylethyl)-7H-purin-6-amine;N-[2-[4-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 157755552
copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid
CID 158247939
6-[2-(4-Butylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(1,3-dimethyl-2-methylidenebenzimidazol-5-yl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(5-fluoro-2-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158398697
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158488568
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158545391
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
6-[2-[4-(1,1-Difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158727613
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-fluorophenyl)indole-4-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158801024
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158884022
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159053315
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159500266
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159845459

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine (CID 157055456) is 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine is CCCc1nc2c(C)cc(-c3cn4c(n3)CCCC4)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3cn4cccnc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4cc(F)ccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3nc4cccnc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2c(C)cc(-c3nc4cccnc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.CCCc1nc2c(C)cc(-c3nc4ncccn4c3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is AARXDOFXBNZODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O2.C32H29N9.2C32H29N5O2.C32H32N4O2.C31H27N9/c1-4-7-30-36-31-20(2)16-23(32-35-27-18-24(34)14-15-28(27)37(32)3)17-29(31)38(30)19-21-10-12-22(13-11-21)25-8-5-6-9-26(25)33(39)40;1-4-8-28-35-29-20(2)17-23(31-34-26-11-7-16-33-32(26)40(31)3)18-27(29)41(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)30-36-38-39-37-30;1-4-8-28-34-29-20(2)17-24(30-21(3)36-16-7-15-33-32(36)35-30)18-27(29)37(28)19-22-11-13-23(14-12-22)25-9-5-6-10-26(25)31(38)39;1-4-8-28-35-29-20(2)17-23(30-34-26-11-7-16-33-31(26)36(30)3)18-27(29)37(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)32(38)39;1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38;1-3-7-28-34-29-20(2)16-23(26-19-39-15-6-14-32-31(39)33-26)17-27(29)40(28)18-21-10-12-22(13-11-21)24-8-4-5-9-25(24)30-35-37-38-36-30/h5-6,8-18H,4,7,19H2,1-3H3,(H,39,40);5-7,9-18H,4,8,19H2,1-3H3,(H,36,37,38,39);2*5-7,9-18H,4,8,19H2,1-3H3,(H,38,39);4-5,9-10,12-15,17-18,20H,3,6-8,11,16,19H2,1-2H3,(H,37,38);4-6,8-17,19H,3,7,18H2,1-2H3,(H,35,36,37,38).
What are the key properties of 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine?
2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 3133.75 g/mol, XLogP of 39.75, 42 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 157055456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).