1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C155H212BBr3FN27O21 — CID 160878724

IUPAC1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESBrCCOc1ccc(Br)cc1.CC(C)(C)OC(=O)N1CCN(CC2CCN(CCOc3ccc(-c4cnc5n4CCC5)cc3)CC2)CC1.CC(C)(C)OC(=O)N1CCN(CC2CCN(CCOc3ccc(Br)cc3)CC2)CC1.CC(C)(C)OC(=O)N1CCN(CC2CCNCC2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOc6ccc(-c7cnc8n7CCC8)cc6)CC5)CC4)cc3C2=O)C(=O)N1.OB(O)c1cnc2n1CCC2.c1cc(-c2cnc3n2CCC3)ccc1OCCN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C37H43N7O5.C29H43N5O3.C24H35N5O.C23H36BrN3O3.C15H29N3O2.C13H9FN2O4.C8H8Br2O.C6H9BN2O2/c45-34-10-9-31(35(46)39-34)44-36(47)29-8-5-27(22-30(29)37(44)48)42-18-16-41(17-19-42)24-25-11-14-40(15-12-25)20-21-49-28-6-3-26(4-7-28)32-23-38-33-2-1-13-43(32)33;1-29(2,3)37-28(35)33-17-15-32(16-18-33)22-23-10-13-31(14-11-23)19-20-36-25-8-6-24(7-9-25)26-21-30-27-5-4-12-34(26)27;1-2-24-26-18-23(29(24)11-1)21-3-5-22(6-4-21)30-17-16-27-12-7-20(8-13-27)19-28-14-9-25-10-15-28;1-23(2,3)30-22(28)27-14-12-26(13-15-27)18-19-8-10-25(11-9-19)16-17-29-21-6-4-20(24)5-7-21;1-15(2,3)20-14(19)18-10-8-17(9-11-18)12-13-4-6-16-7-5-13;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;9-5-6-11-8-3-1-7(10)2-4-8;10-7(11)5-4-8-6-2-1-3-9(5)6/h3-8,22-23,25,31H,1-2,9-21,24H2,(H,39,45,46);6-9,21,23H,4-5,10-20,22H2,1-3H3;3-6,18,20,25H,1-2,7-17,19H2;4-7,19H,8-18H2,1-3H3;13,16H,4-12H2,1-3H3;1-2,5,9H,3-4H2,(H,15,17,18);1-4H,5-6H2;4,10-11H,1-3H2
InChIKeySMTCRHUSGMNMIN-UHFFFAOYSA-N
MW3059.09 g/mol
LogP17.03
Rot. Bonds36

About 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 160878724) has the molecular formula C155H212BBr3FN27O21 and a molecular weight of 3059.09 g/mol. Its IUPAC name is 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID160878724
Molecular FormulaC155H212BBr3FN27O21
Molecular Weight3059.09 g/mol
Exact Mass3054.40
IUPAC Name1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESBrCCOc1ccc(Br)cc1.CC(C)(C)OC(=O)N1CCN(CC2CCN(CCOc3ccc(-c4cnc5n4CCC5)cc3)CC2)CC1.CC(C)(C)OC(=O)N1CCN(CC2CCN(CCOc3ccc(Br)cc3)CC2)CC1.CC(C)(C)OC(=O)N1CCN(CC2CCNCC2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOc6ccc(-c7cnc8n7CCC8)cc6)CC5)CC4)cc3C2=O)C(=O)N1.OB(O)c1cnc2n1CCC2.c1cc(-c2cnc3n2CCC3)ccc1OCCN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C37H43N7O5.C29H43N5O3.C24H35N5O.C23H36BrN3O3.C15H29N3O2.C13H9FN2O4.C8H8Br2O.C6H9BN2O2/c45-34-10-9-31(35(46)39-34)44-36(47)29-8-5-27(22-30(29)37(44)48)42-18-16-41(17-19-42)24-25-11-14-40(15-12-25)20-21-49-28-6-3-26(4-7-28)32-23-38-33-2-1-13-43(32)33;1-29(2,3)37-28(35)33-17-15-32(16-18-33)22-23-10-13-31(14-11-23)19-20-36-25-8-6-24(7-9-25)26-21-30-27-5-4-12-34(26)27;1-2-24-26-18-23(29(24)11-1)21-3-5-22(6-4-21)30-17-16-27-12-7-20(8-13-27)19-28-14-9-25-10-15-28;1-23(2,3)30-22(28)27-14-12-26(13-15-27)18-19-8-10-25(11-9-19)16-17-29-21-6-4-20(24)5-7-21;1-15(2,3)20-14(19)18-10-8-17(9-11-18)12-13-4-6-16-7-5-13;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;9-5-6-11-8-3-1-7(10)2-4-8;10-7(11)5-4-8-6-2-1-3-9(5)6/h3-8,22-23,25,31H,1-2,9-21,24H2,(H,39,45,46);6-9,21,23H,4-5,10-20,22H2,1-3H3;3-6,18,20,25H,1-2,7-17,19H2;4-7,19H,8-18H2,1-3H3;13,16H,4-12H2,1-3H3;1-2,5,9H,3-4H2,(H,15,17,18);1-4H,5-6H2;4,10-11H,1-3H2
InChIKeySMTCRHUSGMNMIN-UHFFFAOYSA-N
XLogP17.03
TPSA470.07 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003059.09
LogP ≤ 517.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 160878724) is 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is BrCCOc1ccc(Br)cc1.CC(C)(C)OC(=O)N1CCN(CC2CCN(CCOc3ccc(-c4cnc5n4CCC5)cc3)CC2)CC1.CC(C)(C)OC(=O)N1CCN(CC2CCN(CCOc3ccc(Br)cc3)CC2)CC1.CC(C)(C)OC(=O)N1CCN(CC2CCNCC2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOc6ccc(-c7cnc8n7CCC8)cc6)CC5)CC4)cc3C2=O)C(=O)N1.OB(O)c1cnc2n1CCC2.c1cc(-c2cnc3n2CCC3)ccc1OCCN1CCC(CN2CCNCC2)CC1.
What is the InChIKey of 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is SMTCRHUSGMNMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N7O5.C29H43N5O3.C24H35N5O.C23H36BrN3O3.C15H29N3O2.C13H9FN2O4.C8H8Br2O.C6H9BN2O2/c45-34-10-9-31(35(46)39-34)44-36(47)29-8-5-27(22-30(29)37(44)48)42-18-16-41(17-19-42)24-25-11-14-40(15-12-25)20-21-49-28-6-3-26(4-7-28)32-23-38-33-2-1-13-43(32)33;1-29(2,3)37-28(35)33-17-15-32(16-18-33)22-23-10-13-31(14-11-23)19-20-36-25-8-6-24(7-9-25)26-21-30-27-5-4-12-34(26)27;1-2-24-26-18-23(29(24)11-1)21-3-5-22(6-4-21)30-17-16-27-12-7-20(8-13-27)19-28-14-9-25-10-15-28;1-23(2,3)30-22(28)27-14-12-26(13-15-27)18-19-8-10-25(11-9-19)16-17-29-21-6-4-20(24)5-7-21;1-15(2,3)20-14(19)18-10-8-17(9-11-18)12-13-4-6-16-7-5-13;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;9-5-6-11-8-3-1-7(10)2-4-8;10-7(11)5-4-8-6-2-1-3-9(5)6/h3-8,22-23,25,31H,1-2,9-21,24H2,(H,39,45,46);6-9,21,23H,4-5,10-20,22H2,1-3H3;3-6,18,20,25H,1-2,7-17,19H2;4-7,19H,8-18H2,1-3H3;13,16H,4-12H2,1-3H3;1-2,5,9H,3-4H2,(H,15,17,18);1-4H,5-6H2;4,10-11H,1-3H2.
What are the key properties of 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 3059.09 g/mol, XLogP of 17.03, 36 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-bromoethoxy)benzene;tert-butyl 4-[[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-(piperidin-4-ylmethyl)piperazine-1-carboxylate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid;5-[4-[[1-[2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;3-[4-[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 160878724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).