3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one

C156H176N22O7S — CID 157392843

IUPAC3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one
SMILESCCC(CC(=O)C1CCN(Cc2c[nH]c3ccc(C)cc23)CC1)c1nc2ccccc2[nH]1.Cc1ccc2[nH]cc(CN3CC(C(=O)CCc4cncs4)C3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CC(C)c4nc5ccccc5[nH]4)CC3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CC(Cc4ccccc4)c4nc5ccccc5[nH]4)CC3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CCc4nc5ccccc5o4)CC3)c2c1.Cc1ccc2nc(C(C)CC(=O)C3CCN(Cc4c[nH]c5ccc(C)cc45)CC3)[nH]c2c1
InChIInChI=1S/C32H34N4O.2C27H32N4O.C26H30N4O.C25H27N3O2.C19H21N3OS/c1-22-11-12-28-27(17-22)26(20-33-28)21-36-15-13-24(14-16-36)31(37)19-25(18-23-7-3-2-4-8-23)32-34-29-9-5-6-10-30(29)35-32;1-17-4-6-23-22(12-17)21(15-28-23)16-31-10-8-20(9-11-31)26(32)14-19(3)27-29-24-7-5-18(2)13-25(24)30-27;1-3-19(27-29-24-6-4-5-7-25(24)30-27)15-26(32)20-10-12-31(13-11-20)17-21-16-28-23-9-8-18(2)14-22(21)23;1-17-7-8-22-21(13-17)20(15-27-22)16-30-11-9-19(10-12-30)25(31)14-18(2)26-28-23-5-3-4-6-24(23)29-26;1-17-6-7-21-20(14-17)19(15-26-21)16-28-12-10-18(11-13-28)23(29)8-9-25-27-22-4-2-3-5-24(22)30-25;1-13-2-4-18-17(6-13)14(7-21-18)9-22-10-15(11-22)19(23)5-3-16-8-20-12-24-16/h2-12,17,20,24-25,33H,13-16,18-19,21H2,1H3,(H,34,35);4-7,12-13,15,19-20,28H,8-11,14,16H2,1-3H3,(H,29,30);4-9,14,16,19-20,28H,3,10-13,15,17H2,1-2H3,(H,29,30);3-8,13,15,18-19,27H,9-12,14,16H2,1-2H3,(H,28,29);2-7,14-15,18,26H,8-13,16H2,1H3;2,4,6-8,12,15,21H,3,5,9-11H2,1H3
InChIKeyBMFDSAFECHZTKB-UHFFFAOYSA-N
MW2503.34 g/mol
LogP31.83
Rot. Bonds39

About 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one

3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one (PubChem CID 157392843) has the molecular formula C156H176N22O7S and a molecular weight of 2503.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one
PubChem CID157392843
Molecular FormulaC156H176N22O7S
Molecular Weight2503.34 g/mol
Exact Mass2501.38
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one
SMILESCCC(CC(=O)C1CCN(Cc2c[nH]c3ccc(C)cc23)CC1)c1nc2ccccc2[nH]1.Cc1ccc2[nH]cc(CN3CC(C(=O)CCc4cncs4)C3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CC(C)c4nc5ccccc5[nH]4)CC3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CC(Cc4ccccc4)c4nc5ccccc5[nH]4)CC3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CCc4nc5ccccc5o4)CC3)c2c1.Cc1ccc2nc(C(C)CC(=O)C3CCN(Cc4c[nH]c5ccc(C)cc45)CC3)[nH]c2c1
InChIInChI=1S/C32H34N4O.2C27H32N4O.C26H30N4O.C25H27N3O2.C19H21N3OS/c1-22-11-12-28-27(17-22)26(20-33-28)21-36-15-13-24(14-16-36)31(37)19-25(18-23-7-3-2-4-8-23)32-34-29-9-5-6-10-30(29)35-32;1-17-4-6-23-22(12-17)21(15-28-23)16-31-10-8-20(9-11-31)26(32)14-19(3)27-29-24-7-5-18(2)13-25(24)30-27;1-3-19(27-29-24-6-4-5-7-25(24)30-27)15-26(32)20-10-12-31(13-11-20)17-21-16-28-23-9-8-18(2)14-22(21)23;1-17-7-8-22-21(13-17)20(15-27-22)16-30-11-9-19(10-12-30)25(31)14-18(2)26-28-23-5-3-4-6-24(23)29-26;1-17-6-7-21-20(14-17)19(15-26-21)16-28-12-10-18(11-13-28)23(29)8-9-25-27-22-4-2-3-5-24(22)30-25;1-13-2-4-18-17(6-13)14(7-21-18)9-22-10-15(11-22)19(23)5-3-16-8-20-12-24-16/h2-12,17,20,24-25,33H,13-16,18-19,21H2,1H3,(H,34,35);4-7,12-13,15,19-20,28H,8-11,14,16H2,1-3H3,(H,29,30);4-9,14,16,19-20,28H,3,10-13,15,17H2,1-2H3,(H,29,30);3-8,13,15,18-19,27H,9-12,14,16H2,1-2H3,(H,28,29);2-7,14-15,18,26H,8-13,16H2,1H3;2,4,6-8,12,15,21H,3,5,9-11H2,1H3
InChIKeyBMFDSAFECHZTKB-UHFFFAOYSA-N
XLogP31.83
TPSA370.24 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002503.34
LogP ≤ 531.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
4-[2-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;2-[4-[[2-(2-cyano-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide;2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]oxazolo[4,5-d]pyrimidine;2-methyl-2-[4-[[5-(2-methyl-1-benzofuran-3-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]propanamide
CID 157947850
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-5-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenyl-4-(trifluoromethyl)-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
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CID 160156765
CID 160156765
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
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2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
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N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
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N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one (CID 157392843) is 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one is CCC(CC(=O)C1CCN(Cc2c[nH]c3ccc(C)cc23)CC1)c1nc2ccccc2[nH]1.Cc1ccc2[nH]cc(CN3CC(C(=O)CCc4cncs4)C3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CC(C)c4nc5ccccc5[nH]4)CC3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CC(Cc4ccccc4)c4nc5ccccc5[nH]4)CC3)c2c1.Cc1ccc2[nH]cc(CN3CCC(C(=O)CCc4nc5ccccc5o4)CC3)c2c1.Cc1ccc2nc(C(C)CC(=O)C3CCN(Cc4c[nH]c5ccc(C)cc45)CC3)[nH]c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
The InChIKey is BMFDSAFECHZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O.2C27H32N4O.C26H30N4O.C25H27N3O2.C19H21N3OS/c1-22-11-12-28-27(17-22)26(20-33-28)21-36-15-13-24(14-16-36)31(37)19-25(18-23-7-3-2-4-8-23)32-34-29-9-5-6-10-30(29)35-32;1-17-4-6-23-22(12-17)21(15-28-23)16-31-10-8-20(9-11-31)26(32)14-19(3)27-29-24-7-5-18(2)13-25(24)30-27;1-3-19(27-29-24-6-4-5-7-25(24)30-27)15-26(32)20-10-12-31(13-11-20)17-21-16-28-23-9-8-18(2)14-22(21)23;1-17-7-8-22-21(13-17)20(15-27-22)16-30-11-9-19(10-12-30)25(31)14-18(2)26-28-23-5-3-4-6-24(23)29-26;1-17-6-7-21-20(14-17)19(15-26-21)16-28-12-10-18(11-13-28)23(29)8-9-25-27-22-4-2-3-5-24(22)30-25;1-13-2-4-18-17(6-13)14(7-21-18)9-22-10-15(11-22)19(23)5-3-16-8-20-12-24-16/h2-12,17,20,24-25,33H,13-16,18-19,21H2,1H3,(H,34,35);4-7,12-13,15,19-20,28H,8-11,14,16H2,1-3H3,(H,29,30);4-9,14,16,19-20,28H,3,10-13,15,17H2,1-2H3,(H,29,30);3-8,13,15,18-19,27H,9-12,14,16H2,1-2H3,(H,28,29);2-7,14-15,18,26H,8-13,16H2,1H3;2,4,6-8,12,15,21H,3,5,9-11H2,1H3.
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one has a molecular weight of 2503.34 g/mol, XLogP of 31.83, 39 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-4-phenylbutan-1-one;3-(1,3-benzoxazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(6-methyl-1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;1-[1-[(5-methyl-1H-indol-3-yl)methyl]azetidin-3-yl]-3-(1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 157392843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).