4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride

C132H189Cl5F2N30O6 — CID 160568948

IUPAC4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc(-c4ccc(F)c(F)c4)cc3O)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc4ccccc4c3)nn2)[nH]1
InChIInChI=1S/C31H54N6O.C26H28F2N6O2.C26H38N6O.C25H36N6O.C24H28N6O.5ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-30(38)24-20-25-37-27-29(35-36-37)22-18-16-17-21-28-26-33-31(32)34-28;27-22-11-9-17(13-23(22)28)18-8-10-21(25(36)14-18)24(35)7-4-12-34-16-20(32-33-34)6-3-1-2-5-19-15-30-26(29)31-19;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;1-2-3-5-9-20-13-15-21(16-14-20)24(32)12-8-17-31-19-23(29-30-31)11-7-4-6-10-22-18-27-25(26)28-22;25-24-26-16-21(27-24)9-2-1-3-10-22-17-30(29-28-22)14-6-11-23(31)20-13-12-18-7-4-5-8-19(18)15-20;;;;;/h9-10,26-27H,2-8,11-25H2,1H3,(H3,32,33,34);8-11,13-16,36H,1-7,12H2,(H3,29,30,31);14-17,19-20H,2-13,18H2,1H3,(H3,27,28,29);13-16,18-19H,2-12,17H2,1H3,(H3,26,27,28);4-5,7-8,12-13,15-17H,1-3,6,9-11,14H2,(H3,25,26,27);5*1H/b10-9+;;;;;;;;;
InChIKeyKRTUIEVNEFIODB-QEKWPQAOSA-N
MW2507.43 g/mol
LogP29.50
Rot. Bonds79

About 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride

4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride (PubChem CID 160568948) has the molecular formula C132H189Cl5F2N30O6 and a molecular weight of 2507.43 g/mol. Its IUPAC name is 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride.

Molecular Properties

Compound Name4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride
PubChem CID160568948
Molecular FormulaC132H189Cl5F2N30O6
Molecular Weight2507.43 g/mol
Exact Mass2503.38
IUPAC Name4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc(-c4ccc(F)c(F)c4)cc3O)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc4ccccc4c3)nn2)[nH]1
InChIInChI=1S/C31H54N6O.C26H28F2N6O2.C26H38N6O.C25H36N6O.C24H28N6O.5ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-30(38)24-20-25-37-27-29(35-36-37)22-18-16-17-21-28-26-33-31(32)34-28;27-22-11-9-17(13-23(22)28)18-8-10-21(25(36)14-18)24(35)7-4-12-34-16-20(32-33-34)6-3-1-2-5-19-15-30-26(29)31-19;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;1-2-3-5-9-20-13-15-21(16-14-20)24(32)12-8-17-31-19-23(29-30-31)11-7-4-6-10-22-18-27-25(26)28-22;25-24-26-16-21(27-24)9-2-1-3-10-22-17-30(29-28-22)14-6-11-23(31)20-13-12-18-7-4-5-8-19(18)15-20;;;;;/h9-10,26-27H,2-8,11-25H2,1H3,(H3,32,33,34);8-11,13-16,36H,1-7,12H2,(H3,29,30,31);14-17,19-20H,2-13,18H2,1H3,(H3,27,28,29);13-16,18-19H,2-12,17H2,1H3,(H3,26,27,28);4-5,7-8,12-13,15-17H,1-3,6,9-11,14H2,(H3,25,26,27);5*1H/b10-9+;;;;;;;;;
InChIKeyKRTUIEVNEFIODB-QEKWPQAOSA-N
XLogP29.50
TPSA532.63 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds79
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002507.43
LogP ≤ 529.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(2,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one
CID 58264436
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;hydrochloride
CID 67064244
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
CID 67064264
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
CID 58264369
4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-hexylphenyl)butan-1-one;N-(2-azidoethyl)-4-hexylbenzamide;tert-butyl 2-amino-4-hept-6-ynylimidazole-1-carboxylate;methane;hydrochloride
CID 159198165
4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one
CID 58264428
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine
CID 158947561
1-[4-(4-heptylphenyl)-2-methylphenyl]-4-pyridin-2-ylbutan-1-one
CID 143394524
5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine;hydrochloride
CID 53359797
(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride?
The IUPAC name of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride (CID 160568948) is 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride.
What is the SMILES notation for 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride?
The canonical SMILES for 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride is CCCCCCCC/C=C/CCCCCCCC(=O)CCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)CCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc(-c4ccc(F)c(F)c4)cc3O)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCCC(=O)c3ccc4ccccc4c3)nn2)[nH]1.
What is the InChIKey of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride?
The InChIKey is KRTUIEVNEFIODB-QEKWPQAOSA-N. The full InChI is InChI=1S/C31H54N6O.C26H28F2N6O2.C26H38N6O.C25H36N6O.C24H28N6O.5ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-30(38)24-20-25-37-27-29(35-36-37)22-18-16-17-21-28-26-33-31(32)34-28;27-22-11-9-17(13-23(22)28)18-8-10-21(25(36)14-18)24(35)7-4-12-34-16-20(32-33-34)6-3-1-2-5-19-15-30-26(29)31-19;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;1-2-3-5-9-20-13-15-21(16-14-20)24(32)12-8-17-31-19-23(29-30-31)11-7-4-6-10-22-18-27-25(26)28-22;25-24-26-16-21(27-24)9-2-1-3-10-22-17-30(29-28-22)14-6-11-23(31)20-13-12-18-7-4-5-8-19(18)15-20;;;;;/h9-10,26-27H,2-8,11-25H2,1H3,(H3,32,33,34);8-11,13-16,36H,1-7,12H2,(H3,29,30,31);14-17,19-20H,2-13,18H2,1H3,(H3,27,28,29);13-16,18-19H,2-12,17H2,1H3,(H3,26,27,28);4-5,7-8,12-13,15-17H,1-3,6,9-11,14H2,(H3,25,26,27);5*1H/b10-9+;;;;;;;;;.
What are the key properties of 4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride?
4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-[4-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride has a molecular weight of 2507.43 g/mol, XLogP of 29.50, 79 rotatable bonds, 11 hydrogen bond donors, and 31 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-(3,4-difluorophenyl)-2-hydroxyphenyl]butan-1-one;(E)-1-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]henicos-12-en-4-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-naphthalen-2-ylbutan-1-one;4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(4-pentylphenyl)butan-1-one;pentahydrochloride is sourced from PubChem (CID 160568948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).