4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride

C233H337Br3Cl14F2IN69O11 — CID 158411774

IUPAC4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride
SMILESCC(C)(C)c1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cn1c(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc(Br)c1Br.Nc1ncc(CCCCCc2cn(CCCC(=O)/C=C/c3ccccc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3c(Cl)cc(Cl)cc3Cl)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3cc(Br)c[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3cc(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccccc3I)nn2)[nH]1
InChIInChI=1S/C25H44N6O.2C24H34N6O.C23H40N6O.C22H28N6O.C20H23Cl3N6O.C20H24F2N6O.C20H25IN6O.C19H25Br2N7O.C18H24BrN7O.C18H25N7O.11ClH/c1-2-3-4-5-6-7-8-9-13-17-24(32)18-14-19-31-21-23(29-30-31)16-12-10-11-15-22-20-27-25(26)28-22;1-24(2,3)19-13-11-18(12-14-19)22(31)10-7-15-30-17-21(28-29-30)9-6-4-5-8-20-16-26-23(25)27-20;1-2-3-8-19-12-14-20(15-13-19)23(31)11-7-16-30-18-22(28-29-30)10-6-4-5-9-21-17-26-24(25)27-21;1-2-3-4-5-6-7-11-15-22(30)16-12-17-29-19-21(27-28-29)14-10-8-9-13-20-18-25-23(24)26-20;23-22-24-16-19(25-22)10-5-2-6-11-20-17-28(27-26-20)15-7-12-21(29)14-13-18-8-3-1-4-9-18;21-13-9-16(22)19(17(23)10-13)18(30)7-4-8-29-12-15(27-28-29)6-3-1-2-5-14-11-25-20(24)26-14;21-15-9-14(10-16(22)11-15)19(29)7-4-8-28-13-18(26-27-28)6-3-1-2-5-17-12-24-20(23)25-17;21-18-10-5-4-9-17(18)19(28)11-6-12-27-14-16(25-26-27)8-3-1-2-7-15-13-23-20(22)24-15;1-27-16(10-15(20)18(27)21)17(29)8-5-9-28-12-14(25-26-28)7-4-2-3-6-13-11-23-19(22)24-13;19-13-9-16(21-10-13)17(27)7-4-8-26-12-15(24-25-26)6-3-1-2-5-14-11-22-18(20)23-14;19-18-21-12-14(22-18)6-2-1-3-7-15-13-25(24-23-15)11-5-9-17(26)16-8-4-10-20-16;;;;;;;;;;;/h20-21H,2-19H2,1H3,(H3,26,27,28);11-14,16-17H,4-10,15H2,1-3H3,(H3,25,26,27);12-15,17-18H,2-11,16H2,1H3,(H3,25,26,27);18-19H,2-17H2,1H3,(H3,24,25,26);1,3-4,8-9,13-14,16-17H,2,5-7,10-12,15H2,(H3,23,24,25);9-12H,1-8H2,(H3,24,25,26);9-13H,1-8H2,(H3,23,24,25);4-5,9-10,13-14H,1-3,6-8,11-12H2,(H3,22,23,24);10-12H,2-9H2,1H3,(H3,22,23,24);9-12,21H,1-8H2,(H3,20,22,23);4,8,10,12-13,20H,1-3,5-7,9,11H2,(H3,19,21,22);11*1H/b;;;;14-13+;;;;;;;;;;;;;;;;;
InChIKeyNOXIHWJTCOUCOX-WYKIOPTFSA-N
MW5181.69 g/mol
LogP50.46
Rot. Bonds141

About 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride

4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride (PubChem CID 158411774) has the molecular formula C233H337Br3Cl14F2IN69O11 and a molecular weight of 5181.69 g/mol. Its IUPAC name is 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride.

Molecular Properties

Compound Name4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride
PubChem CID158411774
Molecular FormulaC233H337Br3Cl14F2IN69O11
Molecular Weight5181.69 g/mol
Exact Mass5169.01
IUPAC Name4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride
SMILESCC(C)(C)c1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cn1c(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc(Br)c1Br.Nc1ncc(CCCCCc2cn(CCCC(=O)/C=C/c3ccccc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3c(Cl)cc(Cl)cc3Cl)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3cc(Br)c[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3cc(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccccc3I)nn2)[nH]1
InChIInChI=1S/C25H44N6O.2C24H34N6O.C23H40N6O.C22H28N6O.C20H23Cl3N6O.C20H24F2N6O.C20H25IN6O.C19H25Br2N7O.C18H24BrN7O.C18H25N7O.11ClH/c1-2-3-4-5-6-7-8-9-13-17-24(32)18-14-19-31-21-23(29-30-31)16-12-10-11-15-22-20-27-25(26)28-22;1-24(2,3)19-13-11-18(12-14-19)22(31)10-7-15-30-17-21(28-29-30)9-6-4-5-8-20-16-26-23(25)27-20;1-2-3-8-19-12-14-20(15-13-19)23(31)11-7-16-30-18-22(28-29-30)10-6-4-5-9-21-17-26-24(25)27-21;1-2-3-4-5-6-7-11-15-22(30)16-12-17-29-19-21(27-28-29)14-10-8-9-13-20-18-25-23(24)26-20;23-22-24-16-19(25-22)10-5-2-6-11-20-17-28(27-26-20)15-7-12-21(29)14-13-18-8-3-1-4-9-18;21-13-9-16(22)19(17(23)10-13)18(30)7-4-8-29-12-15(27-28-29)6-3-1-2-5-14-11-25-20(24)26-14;21-15-9-14(10-16(22)11-15)19(29)7-4-8-28-13-18(26-27-28)6-3-1-2-5-17-12-24-20(23)25-17;21-18-10-5-4-9-17(18)19(28)11-6-12-27-14-16(25-26-27)8-3-1-2-7-15-13-23-20(22)24-15;1-27-16(10-15(20)18(27)21)17(29)8-5-9-28-12-14(25-26-28)7-4-2-3-6-13-11-23-19(22)24-13;19-13-9-16(21-10-13)17(27)7-4-8-26-12-15(24-25-26)6-3-1-2-5-14-11-22-18(20)23-14;19-18-21-12-14(22-18)6-2-1-3-7-15-13-25(24-23-15)11-5-9-17(26)16-8-4-10-20-16;;;;;;;;;;;/h20-21H,2-19H2,1H3,(H3,26,27,28);11-14,16-17H,4-10,15H2,1-3H3,(H3,25,26,27);12-15,17-18H,2-11,16H2,1H3,(H3,25,26,27);18-19H,2-17H2,1H3,(H3,24,25,26);1,3-4,8-9,13-14,16-17H,2,5-7,10-12,15H2,(H3,23,24,25);9-12H,1-8H2,(H3,24,25,26);9-13H,1-8H2,(H3,23,24,25);4-5,9-10,13-14H,1-3,6-8,11-12H2,(H3,22,23,24);10-12H,2-9H2,1H3,(H3,22,23,24);9-12,21H,1-8H2,(H3,20,22,23);4,8,10,12-13,20H,1-3,5-7,9,11H2,(H3,19,21,22);11*1H/b;;;;14-13+;;;;;;;;;;;;;;;;;
InChIKeyNOXIHWJTCOUCOX-WYKIOPTFSA-N
XLogP50.46
TPSA1163.79 Ų
H-Bond Donors24
H-Bond Acceptors67
Rotatable Bonds141
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005181.69
LogP ≤ 550.46
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1067

Analyze 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride with MolForge

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What is the IUPAC name of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride?
The IUPAC name of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride (CID 158411774) is 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride.
What is the SMILES notation for 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride?
The canonical SMILES for 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride is CC(C)(C)c1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cn1c(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc(Br)c1Br.Nc1ncc(CCCCCc2cn(CCCC(=O)/C=C/c3ccccc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3c(Cl)cc(Cl)cc3Cl)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3cc(Br)c[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3cc(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccccc3I)nn2)[nH]1.
What is the InChIKey of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride?
The InChIKey is NOXIHWJTCOUCOX-WYKIOPTFSA-N. The full InChI is InChI=1S/C25H44N6O.2C24H34N6O.C23H40N6O.C22H28N6O.C20H23Cl3N6O.C20H24F2N6O.C20H25IN6O.C19H25Br2N7O.C18H24BrN7O.C18H25N7O.11ClH/c1-2-3-4-5-6-7-8-9-13-17-24(32)18-14-19-31-21-23(29-30-31)16-12-10-11-15-22-20-27-25(26)28-22;1-24(2,3)19-13-11-18(12-14-19)22(31)10-7-15-30-17-21(28-29-30)9-6-4-5-8-20-16-26-23(25)27-20;1-2-3-8-19-12-14-20(15-13-19)23(31)11-7-16-30-18-22(28-29-30)10-6-4-5-9-21-17-26-24(25)27-21;1-2-3-4-5-6-7-11-15-22(30)16-12-17-29-19-21(27-28-29)14-10-8-9-13-20-18-25-23(24)26-20;23-22-24-16-19(25-22)10-5-2-6-11-20-17-28(27-26-20)15-7-12-21(29)14-13-18-8-3-1-4-9-18;21-13-9-16(22)19(17(23)10-13)18(30)7-4-8-29-12-15(27-28-29)6-3-1-2-5-14-11-25-20(24)26-14;21-15-9-14(10-16(22)11-15)19(29)7-4-8-28-13-18(26-27-28)6-3-1-2-5-17-12-24-20(23)25-17;21-18-10-5-4-9-17(18)19(28)11-6-12-27-14-16(25-26-27)8-3-1-2-7-15-13-23-20(22)24-15;1-27-16(10-15(20)18(27)21)17(29)8-5-9-28-12-14(25-26-28)7-4-2-3-6-13-11-23-19(22)24-13;19-13-9-16(21-10-13)17(27)7-4-8-26-12-15(24-25-26)6-3-1-2-5-14-11-22-18(20)23-14;19-18-21-12-14(22-18)6-2-1-3-7-15-13-25(24-23-15)11-5-9-17(26)16-8-4-10-20-16;;;;;;;;;;;/h20-21H,2-19H2,1H3,(H3,26,27,28);11-14,16-17H,4-10,15H2,1-3H3,(H3,25,26,27);12-15,17-18H,2-11,16H2,1H3,(H3,25,26,27);18-19H,2-17H2,1H3,(H3,24,25,26);1,3-4,8-9,13-14,16-17H,2,5-7,10-12,15H2,(H3,23,24,25);9-12H,1-8H2,(H3,24,25,26);9-13H,1-8H2,(H3,23,24,25);4-5,9-10,13-14H,1-3,6-8,11-12H2,(H3,22,23,24);10-12H,2-9H2,1H3,(H3,22,23,24);9-12,21H,1-8H2,(H3,20,22,23);4,8,10,12-13,20H,1-3,5-7,9,11H2,(H3,19,21,22);11*1H/b;;;;14-13+;;;;;;;;;;;;;;;;;.
What are the key properties of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride?
4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride has a molecular weight of 5181.69 g/mol, XLogP of 50.46, 141 rotatable bonds, 24 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-bromo-1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-tert-butylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4,5-dibromo-1-methylpyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]pentadecan-4-one;(E)-6-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-phenylhex-1-en-3-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(1H-pyrrol-2-yl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one;1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]tridecan-4-one;undecahydrochloride is sourced from PubChem (CID 158411774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).