About (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid
(3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 158592684) has the molecular formula C160H184F21N27O23
and a molecular weight of 3252.36 g/mol. Its IUPAC name is (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 158592684) is (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)CC(c1cccc(C(F)(F)F)c1)N1CCN(CCCCCC2=NCCO2)C1=O.O=C(O)CC(c1cccc(C(F)(F)F)c1)N1CCN(CCCCCc2nc3ccccc3[nH]2)C1=O.O=C(O)CC(c1cccc(C(F)(F)F)c1)N1CCN(CCCc2ccc3c(n2)CCC3)C1=O.O=C(O)CC(c1cccc(C(F)(F)F)c1)N1CCN(CCCc2cn3c(n2)NCCC3)C1=O.O=C(O)C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(CCCCCC2=NCCO2)C1=O.O=C(O)C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(CCCCCc2nc3ccccc3[nH]2)C1=O.O=C(O)C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(CCCc2cn3c(n2)NCCC3)C1=O.
What is the InChIKey of (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is HUQFCMDTLDTCOT-JKJNXSBOSA-N. The full InChI is InChI=1S/2C25H27F3N4O3.C24H26F3N3O3.2C22H26F3N5O3.2C21H26F3N3O4/c2*26-25(27,28)18-8-6-7-17(15-18)21(16-23(33)34)32-14-13-31(24(32)35)12-5-1-2-11-22-29-19-9-3-4-10-20(19)30-22;25-24(26,27)18-6-1-5-17(14-18)21(15-22(31)32)30-13-12-29(23(30)33)11-3-7-19-10-9-16-4-2-8-20(16)28-19;2*23-22(24,25)16-5-1-4-15(12-16)18(13-19(31)32)30-11-10-28(21(30)33)8-2-6-17-14-29-9-3-7-26-20(29)27-17;2*22-21(23,24)16-6-4-5-15(13-16)17(14-19(28)29)27-11-10-26(20(27)30)9-3-1-2-7-18-25-8-12-31-18/h2*3-4,6-10,15,21H,1-2,5,11-14,16H2,(H,29,30)(H,33,34);1,5-6,9-10,14,21H,2-4,7-8,11-13,15H2,(H,31,32);2*1,4-5,12,14,18H,2-3,6-11,13H2,(H,26,27)(H,31,32);2*4-6,13,17H,1-3,7-12,14H2,(H,28,29)/t21-;;;18-;;17-;/m0..0.0./s1.
What are the key properties of (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid?
(3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 3252.36 g/mol, XLogP of 30.07, 64 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(1H-benzimidazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[3-[5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl]-2-oxoimidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid;(3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)propyl]imidazolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 158592684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).