About 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one (PubChem CID 159369551) has the molecular formula C138H165F3N26O8
and a molecular weight of 2373.01 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one.
Frequently Asked Questions
What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one (CID 159369551) is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one is CC(C)C1C(=O)Nc2ccc(NC3CCN(Cc4ccccc4)C3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21.CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCCN(C)CC4)ccc3n21.CC[C@H](C)C1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21.CN1CCC(N(C)C(=O)c2ccc3c(c2)nc2n3CC(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3-2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one?
The InChIKey is LJOLXVOPIAERRB-OMQRKACSSA-N. The full InChI is InChI=1S/C37H45N7O2.C35H39F3N6O2.C34H39N7O2.C32H42N6O2/c1-24(2)34-36(45)40-31-12-11-27(38-28-14-19-43(23-28)22-25-8-6-5-7-9-25)21-30(31)35-39-32-20-26(10-13-33(32)44(34)35)37(46)42(4)29-15-17-41(3)18-16-29;1-3-22(2)31-34(46)42-28-12-11-26(39-14-17-43-15-5-4-6-16-43)20-27(28)32-41-29-19-24(10-13-30(29)44(31)32)33(45)40-21-23-8-7-9-25(18-23)35(36,37)38;1-37-14-12-26(13-15-37)38(2)34(43)25-8-11-31-30(20-25)36-33-28-21-27(9-10-29(28)35-32(42)23-41(31)33)40-18-16-39(17-19-40)22-24-6-4-3-5-7-24;1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/h5-13,20-21,24,28-29,34,38H,14-19,22-23H2,1-4H3,(H,40,45);7-13,18-20,22,31,39H,3-6,14-17,21H2,1-2H3,(H,40,45)(H,42,46);3-11,20-21,26H,12-19,22-23H2,1-2H3,(H,35,42);11-14,19-21,23,29,33H,4-10,15-18H2,1-3H3,(H,35,39)/t;22-,31?;;29-/m.0.0/s1.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one?
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one has a molecular weight of 2373.01 g/mol, XLogP of 22.70, 25 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;2-[(1-benzylpyrrolidin-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;7-[(2S)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide;(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 159369551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).