4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile

C106H114Br2F4N14O3 — CID 157143273

IUPAC4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile
SMILESFc1cccc(C2=NCCN2CC2CCNCC2)c1CCc1cc(Br)cc2ccoc12.Fc1cccc(C2=NCCN2CCCN2CCCC2)c1CCc1cc(Br)cc2ccccc12.N#Cc1cc(CCc2c(F)cccc2C2=NCCN2CC2CCNCC2)c2occc2c1.N#Cc1cc(CCc2c(F)cccc2C2=NCCN2CCCN2CCCC2)c2occc2c1
InChIInChI=1S/C28H31BrFN3.C27H29FN4O.C26H27FN4O.C25H27BrFN3O/c29-23-19-21-7-1-2-8-24(21)22(20-23)11-12-25-26(9-5-10-27(25)30)28-31-13-18-33(28)17-6-16-32-14-3-4-15-32;28-25-6-3-5-24(27-30-10-15-32(27)14-4-13-31-11-1-2-12-31)23(25)8-7-21-17-20(19-29)18-22-9-16-33-26(21)22;27-24-3-1-2-23(26-30-11-12-31(26)17-18-6-9-29-10-7-18)22(24)5-4-20-14-19(16-28)15-21-8-13-32-25(20)21;26-20-14-18(24-19(15-20)8-13-31-24)4-5-21-22(2-1-3-23(21)27)25-29-11-12-30(25)16-17-6-9-28-10-7-17/h1-2,5,7-10,19-20H,3-4,6,11-18H2;3,5-6,9,16-18H,1-2,4,7-8,10-15H2;1-3,8,13-15,18,29H,4-7,9-12,17H2;1-3,8,13-15,17,28H,4-7,9-12,16H2
InChIKeyAKKQCCFOYIYGIS-UHFFFAOYSA-N
MW1867.97 g/mol
LogP20.32
Rot. Bonds28

About 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile

4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile (PubChem CID 157143273) has the molecular formula C106H114Br2F4N14O3 and a molecular weight of 1867.97 g/mol. Its IUPAC name is 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile
PubChem CID157143273
Molecular FormulaC106H114Br2F4N14O3
Molecular Weight1867.97 g/mol
Exact Mass1864.75
IUPAC Name4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile
SMILESFc1cccc(C2=NCCN2CC2CCNCC2)c1CCc1cc(Br)cc2ccoc12.Fc1cccc(C2=NCCN2CCCN2CCCC2)c1CCc1cc(Br)cc2ccccc12.N#Cc1cc(CCc2c(F)cccc2C2=NCCN2CC2CCNCC2)c2occc2c1.N#Cc1cc(CCc2c(F)cccc2C2=NCCN2CCCN2CCCC2)c2occc2c1
InChIInChI=1S/C28H31BrFN3.C27H29FN4O.C26H27FN4O.C25H27BrFN3O/c29-23-19-21-7-1-2-8-24(21)22(20-23)11-12-25-26(9-5-10-27(25)30)28-31-13-18-33(28)17-6-16-32-14-3-4-15-32;28-25-6-3-5-24(27-30-10-15-32(27)14-4-13-31-11-1-2-12-31)23(25)8-7-21-17-20(19-29)18-22-9-16-33-26(21)22;27-24-3-1-2-23(26-30-11-12-31(26)17-18-6-9-29-10-7-18)22(24)5-4-20-14-19(16-28)15-21-8-13-32-25(20)21;26-20-14-18(24-19(15-20)8-13-31-24)4-5-21-22(2-1-3-23(21)27)25-29-11-12-30(25)16-17-6-9-28-10-7-17/h1-2,5,7-10,19-20H,3-4,6,11-18H2;3,5-6,9,16-18H,1-2,4,7-8,10-15H2;1-3,8,13-15,18,29H,4-7,9-12,17H2;1-3,8,13-15,17,28H,4-7,9-12,16H2
InChIKeyAKKQCCFOYIYGIS-UHFFFAOYSA-N
XLogP20.32
TPSA179.94 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.97
LogP ≤ 520.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile?
The IUPAC name of 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile (CID 157143273) is 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile?
The canonical SMILES for 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile is Fc1cccc(C2=NCCN2CC2CCNCC2)c1CCc1cc(Br)cc2ccoc12.Fc1cccc(C2=NCCN2CCCN2CCCC2)c1CCc1cc(Br)cc2ccccc12.N#Cc1cc(CCc2c(F)cccc2C2=NCCN2CC2CCNCC2)c2occc2c1.N#Cc1cc(CCc2c(F)cccc2C2=NCCN2CCCN2CCCC2)c2occc2c1.
What is the InChIKey of 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile?
The InChIKey is AKKQCCFOYIYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31BrFN3.C27H29FN4O.C26H27FN4O.C25H27BrFN3O/c29-23-19-21-7-1-2-8-24(21)22(20-23)11-12-25-26(9-5-10-27(25)30)28-31-13-18-33(28)17-6-16-32-14-3-4-15-32;28-25-6-3-5-24(27-30-10-15-32(27)14-4-13-31-11-1-2-12-31)23(25)8-7-21-17-20(19-29)18-22-9-16-33-26(21)22;27-24-3-1-2-23(26-30-11-12-31(26)17-18-6-9-29-10-7-18)22(24)5-4-20-14-19(16-28)15-21-8-13-32-25(20)21;26-20-14-18(24-19(15-20)8-13-31-24)4-5-21-22(2-1-3-23(21)27)25-29-11-12-30(25)16-17-6-9-28-10-7-17/h1-2,5,7-10,19-20H,3-4,6,11-18H2;3,5-6,9,16-18H,1-2,4,7-8,10-15H2;1-3,8,13-15,18,29H,4-7,9-12,17H2;1-3,8,13-15,17,28H,4-7,9-12,16H2.
What are the key properties of 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile?
4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile has a molecular weight of 1867.97 g/mol, XLogP of 20.32, 28 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]methyl]piperidine;2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazole;7-[2-[2-fluoro-6-[1-(piperidin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile;7-[2-[2-fluoro-6-[1-(3-pyrrolidin-1-ylpropyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 157143273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).