4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine

C277H274BrN39O2S — CID 157269008

IUPAC4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine
SMILESC#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC(C)OC(C)C4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC=CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCCC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCN(c5ncccn5)CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCSC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4ccnc4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cnc(-c5ccccc5)n4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4Br)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4C)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4CO)cc3C)n2)cc1
InChIInChI=1S/C31H32N6.C31H27N5.C29H33N3O.C27H26N4O.C27H26N4.C27H29N3.C27H27N3.C26H23BrN4.C26H24N4.C26H27N3S/c1-4-25-6-8-26(9-7-25)20-30-32-13-10-28(35-30)21-29-23(2)18-27(19-24(29)3)22-36-14-16-37(17-15-36)31-33-11-5-12-34-31;1-4-24-10-12-25(13-11-24)18-30-32-15-14-28(34-30)19-29-22(2)16-26(17-23(29)3)20-36-21-33-31(35-36)27-8-6-5-7-9-27;1-6-24-7-9-25(10-8-24)15-29-30-12-11-27(31-29)16-28-20(2)13-26(14-21(28)3)19-32-17-22(4)33-23(5)18-32;1-4-21-5-7-22(8-6-21)13-27-29-10-9-24(30-27)14-26-19(2)11-23(12-20(26)3)16-31-18-28-15-25(31)17-32;1-5-22-6-8-23(9-7-22)14-27-29-11-10-25(30-27)15-26-19(2)12-24(13-20(26)3)17-31-18-28-16-21(31)4;2*1-4-22-7-9-23(10-8-22)17-27-28-12-11-25(29-27)18-26-20(2)15-24(16-21(26)3)19-30-13-5-6-14-30;1-4-20-5-7-21(8-6-20)13-26-29-10-9-23(30-26)14-24-18(2)11-22(12-19(24)3)16-31-17-28-15-25(31)27;1-4-21-5-7-22(8-6-21)15-26-28-10-9-24(29-26)16-25-19(2)13-23(14-20(25)3)17-30-12-11-27-18-30;1-4-21-5-7-22(8-6-21)15-26-27-10-9-24(28-26)16-25-19(2)13-23(14-20(25)3)17-29-11-12-30-18-29/h1,5-13,18-19H,14-17,20-22H2,2-3H3;1,5-17,21H,18-20H2,2-3H3;1,7-14,22-23H,15-19H2,2-5H3;1,5-12,15,18,32H,13-14,16-17H2,2-3H3;1,6-13,16,18H,14-15,17H2,2-4H3;1,7-12,15-16H,5-6,13-14,17-19H2,2-3H3;1,5-12,15-16H,13-14,17-19H2,2-3H3;1,5-12,15,17H,13-14,16H2,2-3H3;1,5-14,18H,15-17H2,2-3H3;1,5-10,13-14H,11-12,15-18H2,2-3H3
InChIKeyAYHXIBNIHWOJCB-UHFFFAOYSA-N
MW4293.48 g/mol
LogP47.61
Rot. Bonds63

About 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine

4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine (PubChem CID 157269008) has the molecular formula C277H274BrN39O2S and a molecular weight of 4293.48 g/mol. Its IUPAC name is 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine
PubChem CID157269008
Molecular FormulaC277H274BrN39O2S
Molecular Weight4293.48 g/mol
Exact Mass4289.14
IUPAC Name4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine
SMILESC#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC(C)OC(C)C4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC=CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCCC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCN(c5ncccn5)CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCSC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4ccnc4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cnc(-c5ccccc5)n4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4Br)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4C)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4CO)cc3C)n2)cc1
InChIInChI=1S/C31H32N6.C31H27N5.C29H33N3O.C27H26N4O.C27H26N4.C27H29N3.C27H27N3.C26H23BrN4.C26H24N4.C26H27N3S/c1-4-25-6-8-26(9-7-25)20-30-32-13-10-28(35-30)21-29-23(2)18-27(19-24(29)3)22-36-14-16-37(17-15-36)31-33-11-5-12-34-31;1-4-24-10-12-25(13-11-24)18-30-32-15-14-28(34-30)19-29-22(2)16-26(17-23(29)3)20-36-21-33-31(35-36)27-8-6-5-7-9-27;1-6-24-7-9-25(10-8-24)15-29-30-12-11-27(31-29)16-28-20(2)13-26(14-21(28)3)19-32-17-22(4)33-23(5)18-32;1-4-21-5-7-22(8-6-21)13-27-29-10-9-24(30-27)14-26-19(2)11-23(12-20(26)3)16-31-18-28-15-25(31)17-32;1-5-22-6-8-23(9-7-22)14-27-29-11-10-25(30-27)15-26-19(2)12-24(13-20(26)3)17-31-18-28-16-21(31)4;2*1-4-22-7-9-23(10-8-22)17-27-28-12-11-25(29-27)18-26-20(2)15-24(16-21(26)3)19-30-13-5-6-14-30;1-4-20-5-7-21(8-6-20)13-26-29-10-9-23(30-26)14-24-18(2)11-22(12-19(24)3)16-31-17-28-15-25(31)27;1-4-21-5-7-22(8-6-21)15-26-28-10-9-24(29-26)16-25-19(2)13-23(14-20(25)3)17-30-12-11-27-18-30;1-4-21-5-7-22(8-6-21)15-26-27-10-9-24(28-26)16-25-19(2)13-23(14-20(25)3)17-29-11-12-30-18-29/h1,5-13,18-19H,14-17,20-22H2,2-3H3;1,5-17,21H,18-20H2,2-3H3;1,7-14,22-23H,15-19H2,2-5H3;1,5-12,15,18,32H,13-14,16-17H2,2-3H3;1,6-13,16,18H,14-15,17H2,2-4H3;1,7-12,15-16H,5-6,13-14,17-19H2,2-3H3;1,5-12,15-16H,13-14,17-19H2,2-3H3;1,5-12,15,17H,13-14,16H2,2-3H3;1,5-14,18H,15-17H2,2-3H3;1,5-10,13-14H,11-12,15-18H2,2-3H3
InChIKeyAYHXIBNIHWOJCB-UHFFFAOYSA-N
XLogP47.61
TPSA434.47 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds63
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004293.48
LogP ≤ 547.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?
The IUPAC name of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine (CID 157269008) is 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine.
What is the SMILES notation for 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?
The canonical SMILES for 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine is C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC(C)OC(C)C4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC=CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCCC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCN(c5ncccn5)CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCSC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4ccnc4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cnc(-c5ccccc5)n4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4Br)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4C)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4CO)cc3C)n2)cc1.
What is the InChIKey of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?
The InChIKey is AYHXIBNIHWOJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6.C31H27N5.C29H33N3O.C27H26N4O.C27H26N4.C27H29N3.C27H27N3.C26H23BrN4.C26H24N4.C26H27N3S/c1-4-25-6-8-26(9-7-25)20-30-32-13-10-28(35-30)21-29-23(2)18-27(19-24(29)3)22-36-14-16-37(17-15-36)31-33-11-5-12-34-31;1-4-24-10-12-25(13-11-24)18-30-32-15-14-28(34-30)19-29-22(2)16-26(17-23(29)3)20-36-21-33-31(35-36)27-8-6-5-7-9-27;1-6-24-7-9-25(10-8-24)15-29-30-12-11-27(31-29)16-28-20(2)13-26(14-21(28)3)19-32-17-22(4)33-23(5)18-32;1-4-21-5-7-22(8-6-21)13-27-29-10-9-24(30-27)14-26-19(2)11-23(12-20(26)3)16-31-18-28-15-25(31)17-32;1-5-22-6-8-23(9-7-22)14-27-29-11-10-25(30-27)15-26-19(2)12-24(13-20(26)3)17-31-18-28-16-21(31)4;2*1-4-22-7-9-23(10-8-22)17-27-28-12-11-25(29-27)18-26-20(2)15-24(16-21(26)3)19-30-13-5-6-14-30;1-4-20-5-7-21(8-6-20)13-26-29-10-9-23(30-26)14-24-18(2)11-22(12-19(24)3)16-31-17-28-15-25(31)27;1-4-21-5-7-22(8-6-21)15-26-28-10-9-24(29-26)16-25-19(2)13-23(14-20(25)3)17-30-12-11-27-18-30;1-4-21-5-7-22(8-6-21)15-26-27-10-9-24(28-26)16-25-19(2)13-23(14-20(25)3)17-29-11-12-30-18-29/h1,5-13,18-19H,14-17,20-22H2,2-3H3;1,5-17,21H,18-20H2,2-3H3;1,7-14,22-23H,15-19H2,2-5H3;1,5-12,15,18,32H,13-14,16-17H2,2-3H3;1,6-13,16,18H,14-15,17H2,2-4H3;1,7-12,15-16H,5-6,13-14,17-19H2,2-3H3;1,5-12,15-16H,13-14,17-19H2,2-3H3;1,5-12,15,17H,13-14,16H2,2-3H3;1,5-14,18H,15-17H2,2-3H3;1,5-10,13-14H,11-12,15-18H2,2-3H3.
What are the key properties of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?
4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine has a molecular weight of 4293.48 g/mol, XLogP of 47.61, 63 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(5-methylimidazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;2-[(4-ethynylphenyl)methyl]-4-[[4-(imidazol-1-ylmethyl)-2,6-dimethylphenyl]methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;[3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]imidazol-4-yl]methanol;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 157269008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).