N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide

C199H265Cl3F2IN63O9 — CID 157216658

IUPACN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Nc1ncc(CCCCCc2cn(CCNC(=O)/C=C/c3ccccc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3c(Cl)cc(Cl)cc3Cl)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3cc(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccccc3I)nn2)[nH]1
InChIInChI=1S/C26H39N7O.C25H29N7O.C24H35N7O.2C23H33N7O.C21H27N7O.C19H22Cl3N7O.C19H23F2N7O.C19H24IN7O/c1-2-3-4-5-7-10-21-13-15-22(16-14-21)25(34)28-17-18-33-20-24(31-32-33)12-9-6-8-11-23-19-29-26(27)30-23;26-25-28-17-22(29-25)9-5-2-6-10-23-18-32(31-30-23)16-15-27-24(33)21-13-11-20(12-14-21)19-7-3-1-4-8-19;1-2-3-5-8-19-11-13-20(14-12-19)23(32)26-15-16-31-18-22(29-30-31)10-7-4-6-9-21-17-27-24(25)28-21;1-23(2,3)18-11-9-17(10-12-18)21(31)25-13-14-30-16-20(28-29-30)8-6-4-5-7-19-15-26-22(24)27-19;1-2-3-7-18-10-12-19(13-11-18)22(31)25-14-15-30-17-21(28-29-30)9-6-4-5-8-20-16-26-23(24)27-20;22-21-24-15-18(25-21)9-5-2-6-10-19-16-28(27-26-19)14-13-23-20(29)12-11-17-7-3-1-4-8-17;20-12-8-15(21)17(16(22)9-12)18(30)24-6-7-29-11-14(27-28-29)5-3-1-2-4-13-10-25-19(23)26-13;20-14-8-13(9-15(21)10-14)18(29)23-6-7-28-12-17(26-27-28)5-3-1-2-4-16-11-24-19(22)25-16;20-17-9-5-4-8-16(17)18(28)22-10-11-27-13-15(25-26-27)7-3-1-2-6-14-12-23-19(21)24-14/h13-16,19-20H,2-12,17-18H2,1H3,(H,28,34)(H3,27,29,30);1,3-4,7-8,11-14,17-18H,2,5-6,9-10,15-16H2,(H,27,33)(H3,26,28,29);11-14,17-18H,2-10,15-16H2,1H3,(H,26,32)(H3,25,27,28);9-12,15-16H,4-8,13-14H2,1-3H3,(H,25,31)(H3,24,26,27);10-13,16-17H,2-9,14-15H2,1H3,(H,25,31)(H3,24,26,27);1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,(H,23,29)(H3,22,24,25);8-11H,1-7H2,(H,24,30)(H3,23,25,26);8-12H,1-7H2,(H,23,29)(H3,22,24,25);4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,22,28)(H3,21,23,24)/b;;;;;12-11+;;;
InChIKeyASMPMDYYWVHWKI-IPDGJDNKSA-N
MW3955.00 g/mol
LogP29.52
Rot. Bonds105

About N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide

N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide (PubChem CID 157216658) has the molecular formula C199H265Cl3F2IN63O9 and a molecular weight of 3955.00 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide
PubChem CID157216658
Molecular FormulaC199H265Cl3F2IN63O9
Molecular Weight3955.00 g/mol
Exact Mass3951.03
IUPAC NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Nc1ncc(CCCCCc2cn(CCNC(=O)/C=C/c3ccccc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3c(Cl)cc(Cl)cc3Cl)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3cc(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccccc3I)nn2)[nH]1
InChIInChI=1S/C26H39N7O.C25H29N7O.C24H35N7O.2C23H33N7O.C21H27N7O.C19H22Cl3N7O.C19H23F2N7O.C19H24IN7O/c1-2-3-4-5-7-10-21-13-15-22(16-14-21)25(34)28-17-18-33-20-24(31-32-33)12-9-6-8-11-23-19-29-26(27)30-23;26-25-28-17-22(29-25)9-5-2-6-10-23-18-32(31-30-23)16-15-27-24(33)21-13-11-20(12-14-21)19-7-3-1-4-8-19;1-2-3-5-8-19-11-13-20(14-12-19)23(32)26-15-16-31-18-22(29-30-31)10-7-4-6-9-21-17-27-24(25)28-21;1-23(2,3)18-11-9-17(10-12-18)21(31)25-13-14-30-16-20(28-29-30)8-6-4-5-7-19-15-26-22(24)27-19;1-2-3-7-18-10-12-19(13-11-18)22(31)25-14-15-30-17-21(28-29-30)9-6-4-5-8-20-16-26-23(24)27-20;22-21-24-15-18(25-21)9-5-2-6-10-19-16-28(27-26-19)14-13-23-20(29)12-11-17-7-3-1-4-8-17;20-12-8-15(21)17(16(22)9-12)18(30)24-6-7-29-11-14(27-28-29)5-3-1-2-4-13-10-25-19(23)26-13;20-14-8-13(9-15(21)10-14)18(29)23-6-7-28-12-17(26-27-28)5-3-1-2-4-16-11-24-19(22)25-16;20-17-9-5-4-8-16(17)18(28)22-10-11-27-13-15(25-26-27)7-3-1-2-6-14-12-23-19(21)24-14/h13-16,19-20H,2-12,17-18H2,1H3,(H,28,34)(H3,27,29,30);1,3-4,7-8,11-14,17-18H,2,5-6,9-10,15-16H2,(H,27,33)(H3,26,28,29);11-14,17-18H,2-10,15-16H2,1H3,(H,26,32)(H3,25,27,28);9-12,15-16H,4-8,13-14H2,1-3H3,(H,25,31)(H3,24,26,27);10-13,16-17H,2-9,14-15H2,1H3,(H,25,31)(H3,24,26,27);1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,(H,23,29)(H3,22,24,25);8-11H,1-7H2,(H,24,30)(H3,23,25,26);8-12H,1-7H2,(H,23,29)(H3,22,24,25);4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,22,28)(H3,21,23,24)/b;;;;;12-11+;;;
InChIKeyASMPMDYYWVHWKI-IPDGJDNKSA-N
XLogP29.52
TPSA1030.59 Ų
H-Bond Donors27
H-Bond Acceptors54
Rotatable Bonds105
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003955.00
LogP ≤ 529.52
H-Bond Donors ≤ 527
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 N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide with MolForge

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Related Compounds

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-(2-iodophenyl)butan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)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 157512654
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]decanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]dodecanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide;(Z)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]octadec-9-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide
CID 158025148
CID 158411774
CID 158411774
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
N-(1-benzyl-4-methylimidazol-2-yl)benzamide;2-chloro-N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]benzamide;N-(1,4-dimethylimidazol-2-yl)-2-fluorobenzamide;N-(1,5-dimethyl-4-phenylimidazol-2-yl)-2-fluorobenzamide;N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]-3-methylbenzamide;N-(1-ethyl-4-phenylimidazol-2-yl)-4-methylbenzamide;4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
CID 159360159

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide?
The IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide (CID 157216658) is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide.
What is the SMILES notation for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide?
The canonical SMILES for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide is CC(C)(C)c1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Nc1ncc(CCCCCc2cn(CCNC(=O)/C=C/c3ccccc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3c(Cl)cc(Cl)cc3Cl)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3cc(F)cc(F)c3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccccc3I)nn2)[nH]1.
What is the InChIKey of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide?
The InChIKey is ASMPMDYYWVHWKI-IPDGJDNKSA-N. The full InChI is InChI=1S/C26H39N7O.C25H29N7O.C24H35N7O.2C23H33N7O.C21H27N7O.C19H22Cl3N7O.C19H23F2N7O.C19H24IN7O/c1-2-3-4-5-7-10-21-13-15-22(16-14-21)25(34)28-17-18-33-20-24(31-32-33)12-9-6-8-11-23-19-29-26(27)30-23;26-25-28-17-22(29-25)9-5-2-6-10-23-18-32(31-30-23)16-15-27-24(33)21-13-11-20(12-14-21)19-7-3-1-4-8-19;1-2-3-5-8-19-11-13-20(14-12-19)23(32)26-15-16-31-18-22(29-30-31)10-7-4-6-9-21-17-27-24(25)28-21;1-23(2,3)18-11-9-17(10-12-18)21(31)25-13-14-30-16-20(28-29-30)8-6-4-5-7-19-15-26-22(24)27-19;1-2-3-7-18-10-12-19(13-11-18)22(31)25-14-15-30-17-21(28-29-30)9-6-4-5-8-20-16-26-23(24)27-20;22-21-24-15-18(25-21)9-5-2-6-10-19-16-28(27-26-19)14-13-23-20(29)12-11-17-7-3-1-4-8-17;20-12-8-15(21)17(16(22)9-12)18(30)24-6-7-29-11-14(27-28-29)5-3-1-2-4-13-10-25-19(23)26-13;20-14-8-13(9-15(21)10-14)18(29)23-6-7-28-12-17(26-27-28)5-3-1-2-4-16-11-24-19(22)25-16;20-17-9-5-4-8-16(17)18(28)22-10-11-27-13-15(25-26-27)7-3-1-2-6-14-12-23-19(21)24-14/h13-16,19-20H,2-12,17-18H2,1H3,(H,28,34)(H3,27,29,30);1,3-4,7-8,11-14,17-18H,2,5-6,9-10,15-16H2,(H,27,33)(H3,26,28,29);11-14,17-18H,2-10,15-16H2,1H3,(H,26,32)(H3,25,27,28);9-12,15-16H,4-8,13-14H2,1-3H3,(H,25,31)(H3,24,26,27);10-13,16-17H,2-9,14-15H2,1H3,(H,25,31)(H3,24,26,27);1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,(H,23,29)(H3,22,24,25);8-11H,1-7H2,(H,24,30)(H3,23,25,26);8-12H,1-7H2,(H,23,29)(H3,22,24,25);4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,22,28)(H3,21,23,24)/b;;;;;12-11+;;;.
What are the key properties of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide?
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide has a molecular weight of 3955.00 g/mol, XLogP of 29.52, 105 rotatable bonds, 27 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-tert-butylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3,5-difluorobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2-iodobenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide;(E)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-3-phenylprop-2-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,4,6-trichlorobenzamide is sourced from PubChem (CID 157216658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).