5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride

C143H180Cl9N69O4S5 — CID 158057182

IUPAC5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride
SMILESC.C.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3nc4ccccc4[nH]3)nn2)[nH]1.Nc1ncc(Cc2cn(CC3=Nc4ccccc4C3)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1
InChIInChI=1S/C15H16N8.C15H15N7.C14H18N6S.C13H16N6O.2C13H16N6S.2C12H14N6O.C12H14N6S.C11H12N6O.C11H12N6S.2CH4.9ClH/c16-15-17-7-10(18-15)5-6-11-8-23(22-21-11)9-14-19-12-3-1-2-4-13(12)20-14;16-15-17-7-11(19-15)6-13-9-22(21-20-13)8-12-5-10-3-1-2-4-14(10)18-12;15-14-16-8-12(17-14)2-1-3-13-9-20(19-18-13)6-4-11-5-7-21-10-11;14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;14-13-15-7-11(16-13)1-2-12-8-19(18-17-12)5-3-10-4-6-20-9-10;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-5-10(15-12)1-2-11-7-18(17-16-11)6-9-3-4-19-8-9;13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;;;;;;;;;;;/h1-4,7-8H,5-6,9H2,(H,19,20)(H3,16,17,18);1-4,7,9H,5-6,8H2,(H3,16,17,19);5,7-10H,1-4,6H2,(H3,15,16,17);2,5-8H,1,3-4,9H2,(H3,14,15,16);4,6-9H,1-3,5H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);3-5,7-8H,1-2,6H2,(H3,13,14,15);1-2,5-7H,3-4,8H2,(H3,13,14,15);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-3,5-6H,4,7H2,(H3,12,13,14);1-2,4,6-7H,3,5H2,(H3,12,13,14);2*1H4;9*1H
InChIKeyBKPNQFUAAXZIKU-UHFFFAOYSA-N
MW3408.90 g/mol
LogP20.47
Rot. Bonds57

About 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride

5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride (PubChem CID 158057182) has the molecular formula C143H180Cl9N69O4S5 and a molecular weight of 3408.90 g/mol. Its IUPAC name is 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride.

Molecular Properties

Compound Name5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride
PubChem CID158057182
Molecular FormulaC143H180Cl9N69O4S5
Molecular Weight3408.90 g/mol
Exact Mass3402.18
IUPAC Name5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride
SMILESC.C.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3nc4ccccc4[nH]3)nn2)[nH]1.Nc1ncc(Cc2cn(CC3=Nc4ccccc4C3)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1
InChIInChI=1S/C15H16N8.C15H15N7.C14H18N6S.C13H16N6O.2C13H16N6S.2C12H14N6O.C12H14N6S.C11H12N6O.C11H12N6S.2CH4.9ClH/c16-15-17-7-10(18-15)5-6-11-8-23(22-21-11)9-14-19-12-3-1-2-4-13(12)20-14;16-15-17-7-11(19-15)6-13-9-22(21-20-13)8-12-5-10-3-1-2-4-14(10)18-12;15-14-16-8-12(17-14)2-1-3-13-9-20(19-18-13)6-4-11-5-7-21-10-11;14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;14-13-15-7-11(16-13)1-2-12-8-19(18-17-12)5-3-10-4-6-20-9-10;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-5-10(15-12)1-2-11-7-18(17-16-11)6-9-3-4-19-8-9;13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;;;;;;;;;;;/h1-4,7-8H,5-6,9H2,(H,19,20)(H3,16,17,18);1-4,7,9H,5-6,8H2,(H3,16,17,19);5,7-10H,1-4,6H2,(H3,15,16,17);2,5-8H,1,3-4,9H2,(H3,14,15,16);4,6-9H,1-3,5H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);3-5,7-8H,1-2,6H2,(H3,13,14,15);1-2,5-7H,3-4,8H2,(H3,13,14,15);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-3,5-6H,4,7H2,(H3,12,13,14);1-2,4,6-7H,3,5H2,(H3,12,13,14);2*1H4;9*1H
InChIKeyBKPNQFUAAXZIKU-UHFFFAOYSA-N
XLogP20.47
TPSA1033.11 Ų
H-Bond Donors23
H-Bond Acceptors66
Rotatable Bonds57
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003408.90
LogP ≤ 520.47
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1066

Analyze 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride with MolForge

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Related Compounds

2-[5-[[4-[[1-[[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 155515091
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole;dihydrochloride
CID 155529917
N'-propan-2-yl-2-[5-[[4-[[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 155535455
N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;4-(5-methyl-4-phenyl-1H-imidazol-2-yl)-2-phenyltriazole;5-methyl-4-phenyl-2-(5-phenylthiophen-2-yl)-1H-imidazole;5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole;5-methyl-4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-1H-imidazole
CID 157080033
N,N-dimethyl-2-[5-(5-methyl-4-phenyl-1H-imidazol-2-yl)furan-2-yl]aniline;4-(5-methyl-4-phenyl-1H-imidazol-2-yl)-2-phenyltriazole;5-methyl-4-phenyl-2-(5-phenylthiophen-2-yl)-1H-imidazole;5-methyl-4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-1H-imidazole
CID 158030724
N,N-dimethyl-2-[5-(5-methyl-4-phenyl-1H-imidazol-2-yl)furan-2-yl]aniline;N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;4-(5-methyl-4-phenyl-1H-imidazol-2-yl)-2-phenyltriazole;5-methyl-4-phenyl-2-(5-phenylthiophen-2-yl)-1H-imidazole;5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole;5-methyl-4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-1H-imidazole
CID 158493008
5-[[1-[(5,6-dimethyl-3H-indol-2-yl)methyl]triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-[2-(1H-indol-3-yl)ethyl]triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(1H-indol-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 157771597
5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-[2-(1H-indol-3-yl)ethyl]triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(1H-indol-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 157977275
5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hexahydrochloride
CID 158086026
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 158168070
5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]propyl]-1H-imidazol-2-amine;heptahydrochloride
CID 158563257
5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[3-[1-(furan-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;decahydrochloride
CID 159997251

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride?
The IUPAC name of 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride (CID 158057182) is 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride.
What is the SMILES notation for 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride?
The canonical SMILES for 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride is C.C.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Nc1ncc(CCCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCCc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(CCc2cn(Cc3nc4ccccc4[nH]3)nn2)[nH]1.Nc1ncc(Cc2cn(CC3=Nc4ccccc4C3)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1.
What is the InChIKey of 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride?
The InChIKey is BKPNQFUAAXZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8.C15H15N7.C14H18N6S.C13H16N6O.2C13H16N6S.2C12H14N6O.C12H14N6S.C11H12N6O.C11H12N6S.2CH4.9ClH/c16-15-17-7-10(18-15)5-6-11-8-23(22-21-11)9-14-19-12-3-1-2-4-13(12)20-14;16-15-17-7-11(19-15)6-13-9-22(21-20-13)8-12-5-10-3-1-2-4-14(10)18-12;15-14-16-8-12(17-14)2-1-3-13-9-20(19-18-13)6-4-11-5-7-21-10-11;14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;14-13-15-7-11(16-13)1-2-12-8-19(18-17-12)5-3-10-4-6-20-9-10;14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10;13-12-14-5-10(15-12)1-2-11-7-18(17-16-11)6-9-3-4-19-8-9;13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;;;;;;;;;;;/h1-4,7-8H,5-6,9H2,(H,19,20)(H3,16,17,18);1-4,7,9H,5-6,8H2,(H3,16,17,19);5,7-10H,1-4,6H2,(H3,15,16,17);2,5-8H,1,3-4,9H2,(H3,14,15,16);4,6-9H,1-3,5H2,(H3,14,15,16);4-6,8-9H,1-3,7H2,(H3,14,15,16);3-5,7-8H,1-2,6H2,(H3,13,14,15);1-2,5-7H,3-4,8H2,(H3,13,14,15);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-3,5-6H,4,7H2,(H3,12,13,14);1-2,4,6-7H,3,5H2,(H3,12,13,14);2*1H4;9*1H.
What are the key properties of 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride?
5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride has a molecular weight of 3408.90 g/mol, XLogP of 20.47, 57 rotatable bonds, 23 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[2-[1-(furan-3-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;methane;5-[2-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;5-[[1-(thiophen-3-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;nonahydrochloride is sourced from PubChem (CID 158057182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).