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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one

C209H276Cl3F2IN54O9 — CID 158677025

IUPAC4-[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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.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(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc(-c4ccccc4)cc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccccc3I)nn2)[nH]1
InChIInChI=1S/C27H40N6O.C26H30N6O.C26H38N6O.2C24H34N6O.C22H28N6O.C20H23Cl3N6O.C20H24F2N6O.C20H25IN6O/c1-2-3-4-5-7-11-22-15-17-23(18-16-22)26(34)14-10-19-33-21-25(31-32-33)13-9-6-8-12-24-20-29-27(28)30-24;27-26-28-18-23(29-26)10-5-2-6-11-24-19-32(31-30-24)17-7-12-25(33)22-15-13-21(14-16-22)20-8-3-1-4-9-20;1-2-3-4-6-10-21-14-16-22(17-15-21)25(33)13-9-18-32-20-24(30-31-32)12-8-5-7-11-23-19-28-26(27)29-23;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;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/h15-18,20-21H,2-14,19H2,1H3,(H3,28,29,30);1,3-4,8-9,13-16,18-19H,2,5-7,10-12,17H2,(H3,27,28,29);14-17,19-20H,2-13,18H2,1H3,(H3,27,28,29);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);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)/b;;;;;14-13+;;;
InChIKeyIEQNPEOARSCGCW-RQXUSJAYSA-N
MW3960.13 g/mol
LogP41.00
Rot. Bonds115

About 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one (PubChem CID 158677025) has the molecular formula C209H276Cl3F2IN54O9 and a molecular weight of 3960.13 g/mol. Its IUPAC name is 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one
PubChem CID158677025
Molecular FormulaC209H276Cl3F2IN54O9
Molecular Weight3960.13 g/mol
Exact Mass3956.09
IUPAC Name4-[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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.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(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc(-c4ccccc4)cc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccccc3I)nn2)[nH]1
InChIInChI=1S/C27H40N6O.C26H30N6O.C26H38N6O.2C24H34N6O.C22H28N6O.C20H23Cl3N6O.C20H24F2N6O.C20H25IN6O/c1-2-3-4-5-7-11-22-15-17-23(18-16-22)26(34)14-10-19-33-21-25(31-32-33)13-9-6-8-12-24-20-29-27(28)30-24;27-26-28-18-23(29-26)10-5-2-6-11-24-19-32(31-30-24)17-7-12-25(33)22-15-13-21(14-16-22)20-8-3-1-4-9-20;1-2-3-4-6-10-21-14-16-22(17-15-21)25(33)13-9-18-32-20-24(30-31-32)12-8-5-7-11-23-19-28-26(27)29-23;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;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/h15-18,20-21H,2-14,19H2,1H3,(H3,28,29,30);1,3-4,8-9,13-16,18-19H,2,5-7,10-12,17H2,(H3,27,28,29);14-17,19-20H,2-13,18H2,1H3,(H3,27,28,29);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);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)/b;;;;;14-13+;;;
InChIKeyIEQNPEOARSCGCW-RQXUSJAYSA-N
XLogP41.00
TPSA922.32 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds115
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003960.13
LogP ≤ 541.00
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one?
The IUPAC name of 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one (CID 158677025) is 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one.
What is the SMILES notation for 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one?
The canonical SMILES for 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one is CC(C)(C)c1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.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(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc(-c4ccccc4)cc3)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-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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one?
The InChIKey is IEQNPEOARSCGCW-RQXUSJAYSA-N. The full InChI is InChI=1S/C27H40N6O.C26H30N6O.C26H38N6O.2C24H34N6O.C22H28N6O.C20H23Cl3N6O.C20H24F2N6O.C20H25IN6O/c1-2-3-4-5-7-11-22-15-17-23(18-16-22)26(34)14-10-19-33-21-25(31-32-33)13-9-6-8-12-24-20-29-27(28)30-24;27-26-28-18-23(29-26)10-5-2-6-11-24-19-32(31-30-24)17-7-12-25(33)22-15-13-21(14-16-22)20-8-3-1-4-9-20;1-2-3-4-6-10-21-14-16-22(17-15-21)25(33)13-9-18-32-20-24(30-31-32)12-8-5-7-11-23-19-28-26(27)29-23;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;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/h15-18,20-21H,2-14,19H2,1H3,(H3,28,29,30);1,3-4,8-9,13-16,18-19H,2,5-7,10-12,17H2,(H3,27,28,29);14-17,19-20H,2-13,18H2,1H3,(H3,27,28,29);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);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)/b;;;;;14-13+;;;.
What are the key properties of 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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one has a molecular weight of 3960.13 g/mol, XLogP of 41.00, 115 rotatable bonds, 18 hydrogen bond donors, and 54 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-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-(3,5-difluorophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-heptylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2-iodophenyl)butan-1-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-(4-phenylphenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one is sourced from PubChem (CID 158677025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).