2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole

C50H51N11O — CID 145424467

IUPAC2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccc(-c4ccnc([C@@H]5CCC[C@H](c6nc7ccccc7[nH]6)N5CCc5ncco5)c4C)cc3[nH]2)N1CCc1cn2ccccc2n1
InChIInChI=1S/C50H51N11O/c1-32-10-9-23-52-47(32)41-13-7-15-44(60(41)27-21-35-31-59-26-6-5-17-45(59)54-35)50-57-39-19-18-34(30-40(39)58-50)36-20-24-53-48(33(36)2)42-14-8-16-43(61(42)28-22-46-51-25-29-62-46)49-55-37-11-3-4-12-38(37)56-49/h3-6,9-12,17-20,23-26,29-31,41-44H,7-8,13-16,21-22,27-28H2,1-2H3,(H,55,56)(H,57,58)/t41-,42-,43+,44+/m0/s1
InChIKeyRPEMEEHSTJQINR-IYTFMMMVSA-N
MW822.03 g/mol
LogP10.17
Rot. Bonds11

About 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole

2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole (PubChem CID 145424467) has the molecular formula C50H51N11O and a molecular weight of 822.03 g/mol. Its IUPAC name is 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole
PubChem CID145424467
Molecular FormulaC50H51N11O
Molecular Weight822.03 g/mol
Exact Mass821.43
IUPAC Name2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccc(-c4ccnc([C@@H]5CCC[C@H](c6nc7ccccc7[nH]6)N5CCc5ncco5)c4C)cc3[nH]2)N1CCc1cn2ccccc2n1
InChIInChI=1S/C50H51N11O/c1-32-10-9-23-52-47(32)41-13-7-15-44(60(41)27-21-35-31-59-26-6-5-17-45(59)54-35)50-57-39-19-18-34(30-40(39)58-50)36-20-24-53-48(33(36)2)42-14-8-16-43(61(42)28-22-46-51-25-29-62-46)49-55-37-11-3-4-12-38(37)56-49/h3-6,9-12,17-20,23-26,29-31,41-44H,7-8,13-16,21-22,27-28H2,1-2H3,(H,55,56)(H,57,58)/t41-,42-,43+,44+/m0/s1
InChIKeyRPEMEEHSTJQINR-IYTFMMMVSA-N
XLogP10.17
TPSA132.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.03
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)methyl)oxazole
CID 44573252
6-[6-(4-Fluorophenyl)-imidazo[2,1-b]oxazol-5-yl]-2-pyridin-4-yl-1H-benzimidazole
CID 59457791
4-[6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
CID 54762182
2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
CID 145424614
2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
CID 154620157
2-[2-[2-Imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
CID 155373981
N-benzyl-5-pyridin-2-ylpyridin-2-amine;N',N'-dimethyl-N-(5-pyridin-2-yl-2-pyridinyl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-yl-2-pyridinyl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyridin-2-amine;N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylpyridin-2-amine;N-(3-piperidin-1-ylpropyl)-5-pyridin-2-ylpyridin-2-amine;5-pyridin-2-yl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;5-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-yl-2-pyridinyl)ethane-1,2-diamine
CID 157734438
(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine;(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine;(5S)-1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine;3-[2-[(5S)-5-methyl-4,5-dihydroimidazol-1-yl]ethyl]pyridine;(5S)-5-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]-4,5-dihydroimidazol-2-amine;(5S)-5-methyl-1-[2-(1,3-oxazol-5-yl)ethyl]-4,5-dihydroimidazol-2-amine;3-[2-[(5S)-5-methyl-2-propyl-4,5-dihydroimidazol-1-yl]ethyl]pyridine;(5S)-5-methyl-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
CID 158133519
Bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methyl-1,5-naphthyridine;4-methyl-1,6-naphthyridine;2-methyl-1,3-oxazole;7-methylquinazoline;8-methylquinazoline;5-methylquinoxaline;6-methylquinoxaline
CID 159307852
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole
CID 159439997
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-1H-indole;bis(2,5-di(propan-2-yl)-3H-indole);2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,5-di(propan-2-yl)-3H-pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine;2,6-di(propan-2-yl)-5H-pyrrolo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine
CID 160497927
1,2-dimethyl-3a,7a-dihydroindole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,7-dimethyl-3,4-dihydro-2H-quinoline;1,2-dimethylindole;2,5-dimethyl-3H-indole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;methane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;1,3-oxazole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine
CID 160590563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole (CID 145424467) is 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccc(-c4ccnc([C@@H]5CCC[C@H](c6nc7ccccc7[nH]6)N5CCc5ncco5)c4C)cc3[nH]2)N1CCc1cn2ccccc2n1.
What is the InChIKey of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is RPEMEEHSTJQINR-IYTFMMMVSA-N. The full InChI is InChI=1S/C50H51N11O/c1-32-10-9-23-52-47(32)41-13-7-15-44(60(41)27-21-35-31-59-26-6-5-17-45(59)54-35)50-57-39-19-18-34(30-40(39)58-50)36-20-24-53-48(33(36)2)42-14-8-16-43(61(42)28-22-46-51-25-29-62-46)49-55-37-11-3-4-12-38(37)56-49/h3-6,9-12,17-20,23-26,29-31,41-44H,7-8,13-16,21-22,27-28H2,1-2H3,(H,55,56)(H,57,58)/t41-,42-,43+,44+/m0/s1.
What are the key properties of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole?
2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 822.03 g/mol, XLogP of 10.17, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-[4-[2-[(2R,6S)-1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3H-benzimidazol-5-yl]-3-methyl-2-pyridinyl]piperidin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 145424467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).