About 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene
2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene (PubChem CID 157391372) has the molecular formula C142H142F6N30
and a molecular weight of 2382.90 g/mol. Its IUPAC name is 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene.
Frequently Asked Questions
What is the IUPAC name of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene?
The IUPAC name of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene (CID 157391372) is 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene.
What is the SMILES notation for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene?
The canonical SMILES for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene is FC1(F)CN[C@H](c2nc3c([nH]2)CCc2cc(-c4ccc(-c5cnc([C@@H]6CCCN6)[nH]5)cc4)ccc2-3)C1.FC1(F)CN[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6[nH]c([C@@H]7CC(F)(F)CN7)nc65)c4)cc3)[nH]2)C1.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2c(c1)CCCCc1[nH]c([C@@H]3CCCN3)nc1-2.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2c(ccc3[nH]c([C@@H]4CCCN4)nc32)c1.c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2c(ccc3[nH]c([C@@H]4CCCN4)nc32)c1.
What is the InChIKey of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene?
The InChIKey is BMAVTUVREGETLC-VKFJJQHRSA-N. The full InChI is InChI=1S/C30H34N6.C28H24F4N6.C28H28F2N6.2C28H28N6/c1-2-6-24-28(36-30(34-24)26-8-4-16-32-26)23-14-13-21(17-22(23)5-1)19-9-11-20(12-10-19)27-18-33-29(35-27)25-7-3-15-31-25;29-27(30)10-21(34-13-27)25-33-12-23(37-25)16-3-1-15(2-4-16)17-5-7-19-18(9-17)6-8-20-24(19)38-26(36-20)22-11-28(31,32)14-35-22;29-28(30)13-23(33-15-28)27-34-21-10-8-19-12-18(7-9-20(19)25(21)36-27)16-3-5-17(6-4-16)24-14-32-26(35-24)22-2-1-11-31-22;2*1-3-23(29-13-1)27-31-16-25(33-27)18-7-5-17(6-8-18)19-9-11-21-20(15-19)10-12-22-26(21)34-28(32-22)24-4-2-14-30-24/h9-14,17-18,25-26,31-32H,1-8,15-16H2,(H,33,35)(H,34,36);1-9,12,21-22,34-35H,10-11,13-14H2,(H,33,37)(H,36,38);3-7,9,12,14,22-23,31,33H,1-2,8,10-11,13,15H2,(H,32,35)(H,34,36);2*5-12,15-16,23-24,29-30H,1-4,13-14H2,(H,31,33)(H,32,34)/t25-,26-;21-,22-;22-,23-;2*23-,24-/m00000/s1.
What are the key properties of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene?
2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene has a molecular weight of 2382.90 g/mol, XLogP of 28.55, 20 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene is sourced from PubChem (CID 157391372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).