3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

C128H163N13O2 — CID 159765000

IUPAC3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESC1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCC1(C)CC2C=CC1N(CCc1nc3ccccc3[nH]1)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(C)(CC)C2
InChIInChI=1S/C24H26N2.C23H30N2O2.2C21H28N2.C20H26N2.C19H25N3/c1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-4-23(3)14-16-10-11-20(23)25(15-16)13-12-18-17-8-6-7-9-19(17)24-21(18)22(26)27-5-2;1-3-21(2)13-16-10-11-20(21)23(15-16)12-6-7-17-14-22-19-9-5-4-8-18(17)19;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-3-20(2)13-15-8-9-19(20)22(14-15)11-10-17-12-16-6-4-5-7-18(16)21-17;1-3-19(2)12-14-8-9-17(19)22(13-14)11-10-18-20-15-6-4-5-7-16(15)21-18/h1-11,16,19,21,24-25H,12-15,17H2;6-11,16,20,24H,4-5,12-15H2,1-3H3;4-5,8-11,14,16,20,22H,3,6-7,12-13,15H2,1-2H3;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-9,12,15,19,21H,3,10-11,13-14H2,1-2H3;4-9,14,17H,3,10-13H2,1-2H3,(H,20,21)
InChIKeyNFJPLOQBXFLKMD-UHFFFAOYSA-N
MW1915.80 g/mol
LogP27.12
Rot. Bonds29

About 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (PubChem CID 159765000) has the molecular formula C128H163N13O2 and a molecular weight of 1915.80 g/mol. Its IUPAC name is 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
PubChem CID159765000
Molecular FormulaC128H163N13O2
Molecular Weight1915.80 g/mol
Exact Mass1914.31
IUPAC Name3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESC1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCC1(C)CC2C=CC1N(CCc1nc3ccccc3[nH]1)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(C)(CC)C2
InChIInChI=1S/C24H26N2.C23H30N2O2.2C21H28N2.C20H26N2.C19H25N3/c1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-4-23(3)14-16-10-11-20(23)25(15-16)13-12-18-17-8-6-7-9-19(17)24-21(18)22(26)27-5-2;1-3-21(2)13-16-10-11-20(21)23(15-16)12-6-7-17-14-22-19-9-5-4-8-18(17)19;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-3-20(2)13-15-8-9-19(20)22(14-15)11-10-17-12-16-6-4-5-7-18(16)21-17;1-3-19(2)12-14-8-9-17(19)22(13-14)11-10-18-20-15-6-4-5-7-16(15)21-18/h1-11,16,19,21,24-25H,12-15,17H2;6-11,16,20,24H,4-5,12-15H2,1-3H3;4-5,8-11,14,16,20,22H,3,6-7,12-13,15H2,1-2H3;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-9,12,15,19,21H,3,10-11,13-14H2,1-2H3;4-9,14,17H,3,10-13H2,1-2H3,(H,20,21)
InChIKeyNFJPLOQBXFLKMD-UHFFFAOYSA-N
XLogP27.12
TPSA153.37 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.80
LogP ≤ 527.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[(1-tert-butyltetrazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 155546066
benzyl 1-[2-[[(2S)-3-imidazol-1-yl-1-oxo-1-phenylmethoxypropan-2-yl]amino]ethyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 49865838
6-fluoro-4-[4-[(1R)-1-(4,5,6-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1R)-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;methyl 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazole-5-carboxylate
CID 160897436
Methyl 11-[[5-[1-[3-[[11-[[5-[1-[3-[(11-benzyl-5-methoxycarbonyl-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl)-methylamino]propyl]piperidin-3-yl]-2-methylphenyl]methyl]-5-methoxycarbonyl-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]amino]propyl]piperidin-3-yl]-2-methylphenyl]methyl]-13-(3-pyrrolidin-1-ylpropylamino)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate
CID 123512650
[6-[2-[[2-acetamido-4-[6-[2-[(3-acetamidoanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]anilino]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 132035494
benzyl 5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole-2-carboxylate
CID 137403579
Bis[4-(3-methylimidazol-3-ium-1-yl)butyl] 4-[3-(4-imidazol-3-ium-1-ylbutyl)carbazol-9-yl]-5-[3-[4-(3-methylimidazol-3-ium-1-yl)butyl]carbazol-9-yl]benzene-1,2-dicarboxylate
CID 140821466
[6-(cyclohexylamino)-2-[2-methyl-4-(2-pyridin-3-ylethylcarbamoyl)anilino]-7H-purin-8-yl]methyl 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylbenzoate
CID 144060960
ethyl 4-[(2,2-dimethylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(1S,2R)-2-ethylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(1R,2S)-2-methylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[(3-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157173458
N,N-dimethyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-2-(morpholine-4-carbonyl)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;methyl 1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
CID 157262141
Tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole
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8,9-dimethylpurine-6-carboxylic acid;6,7-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxylic acid;8-(3-hydroxypropyl)-9-methylpurine-6-carboxylic acid;5-isocyano-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylic acid;9-methyl-8-(morpholin-4-ylmethyl)purine-6-carboxylic acid;7-methyl-6-(3-piperidin-1-ylpropyl)pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
CID 157431501

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (CID 159765000) is 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1(C)CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCC1(C)CC2C=CC1N(CCc1nc3ccccc3[nH]1)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCOC(=O)c1[nH]c2ccccc2c1CCN1CC2C=CC1C(C)(CC)C2.
What is the InChIKey of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The InChIKey is NFJPLOQBXFLKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2.C23H30N2O2.2C21H28N2.C20H26N2.C19H25N3/c1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-4-23(3)14-16-10-11-20(23)25(15-16)13-12-18-17-8-6-7-9-19(17)24-21(18)22(26)27-5-2;1-3-21(2)13-16-10-11-20(21)23(15-16)12-6-7-17-14-22-19-9-5-4-8-18(17)19;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-3-20(2)13-15-8-9-19(20)22(14-15)11-10-17-12-16-6-4-5-7-18(16)21-17;1-3-19(2)12-14-8-9-17(19)22(13-14)11-10-18-20-15-6-4-5-7-16(15)21-18/h1-11,16,19,21,24-25H,12-15,17H2;6-11,16,20,24H,4-5,12-15H2,1-3H3;4-5,8-11,14,16,20,22H,3,6-7,12-13,15H2,1-2H3;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-9,12,15,19,21H,3,10-11,13-14H2,1-2H3;4-9,14,17H,3,10-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole has a molecular weight of 1915.80 g/mol, XLogP of 27.12, 29 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-benzimidazole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is sourced from PubChem (CID 159765000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).