5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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

C90H96N46O2S2 — CID 160505651

IUPAC5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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
SMILESNc1ncc(Cc2cn(CCc3c[nH]c4ccccc34)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3c[nH]c4ccccc34)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3nc4ccccc4[nH]3)nn2)[nH]1
InChIInChI=1S/C16H17N7.C15H15N7.C14H14N8.C12H14N6S.2C11H12N6O.C11H12N6S/c17-16-19-9-12(20-16)7-13-10-23(22-21-13)6-5-11-8-18-15-4-2-1-3-14(11)15;16-15-18-7-11(19-15)5-12-9-22(21-20-12)8-10-6-17-14-4-2-1-3-13(10)14;15-14-16-6-9(17-14)5-10-7-22(21-20-10)8-13-18-11-3-1-2-4-12(11)19-13;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;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/h1-4,8-10,18H,5-7H2,(H3,17,19,20);1-4,6-7,9,17H,5,8H2,(H3,16,18,19);1-4,6-7H,5,8H2,(H,18,19)(H3,15,16,17);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14);1-2,4,6-7H,3,5H2,(H3,12,13,14)
InChIKeyQSJCFFAUGOYCQP-UHFFFAOYSA-N
MW1918.21 g/mol
LogP9.09
Rot. Bonds30

About 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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

5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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 (PubChem CID 160505651) has the molecular formula C90H96N46O2S2 and a molecular weight of 1918.21 g/mol. Its IUPAC name is 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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.

Molecular Properties

Compound Name5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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
PubChem CID160505651
Molecular FormulaC90H96N46O2S2
Molecular Weight1918.21 g/mol
Exact Mass1916.83
IUPAC Name5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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
SMILESNc1ncc(Cc2cn(CCc3c[nH]c4ccccc34)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3c[nH]c4ccccc34)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3nc4ccccc4[nH]3)nn2)[nH]1
InChIInChI=1S/C16H17N7.C15H15N7.C14H14N8.C12H14N6S.2C11H12N6O.C11H12N6S/c17-16-19-9-12(20-16)7-13-10-23(22-21-13)6-5-11-8-18-15-4-2-1-3-14(11)15;16-15-18-7-11(19-15)5-12-9-22(21-20-12)8-10-6-17-14-4-2-1-3-13(10)14;15-14-16-6-9(17-14)5-10-7-22(21-20-10)8-13-18-11-3-1-2-4-12(11)19-13;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;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/h1-4,8-10,18H,5-7H2,(H3,17,19,20);1-4,6-7,9,17H,5,8H2,(H3,16,18,19);1-4,6-7H,5,8H2,(H,18,19)(H3,15,16,17);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14);1-2,4,6-7H,3,5H2,(H3,12,13,14)
InChIKeyQSJCFFAUGOYCQP-UHFFFAOYSA-N
XLogP9.09
TPSA684.41 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.21
LogP ≤ 59.09
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Analyze 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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?
The IUPAC name of 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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 160505651) is 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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.
What is the SMILES notation for 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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?
The canonical SMILES for 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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 is Nc1ncc(Cc2cn(CCc3c[nH]c4ccccc34)nn2)[nH]1.Nc1ncc(Cc2cn(CCc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3c[nH]c4ccccc34)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccoc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3ccsc3)nn2)[nH]1.Nc1ncc(Cc2cn(Cc3nc4ccccc4[nH]3)nn2)[nH]1.
What is the InChIKey of 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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?
The InChIKey is QSJCFFAUGOYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7.C15H15N7.C14H14N8.C12H14N6S.2C11H12N6O.C11H12N6S/c17-16-19-9-12(20-16)7-13-10-23(22-21-13)6-5-11-8-18-15-4-2-1-3-14(11)15;16-15-18-7-11(19-15)5-12-9-22(21-20-12)8-10-6-17-14-4-2-1-3-13(10)14;15-14-16-6-9(17-14)5-10-7-22(21-20-10)8-13-18-11-3-1-2-4-12(11)19-13;13-12-14-6-10(15-12)5-11-7-18(17-16-11)3-1-9-2-4-19-8-9;12-11-13-4-9(14-11)3-10-6-17(16-15-10)5-8-1-2-18-7-8;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/h1-4,8-10,18H,5-7H2,(H3,17,19,20);1-4,6-7,9,17H,5,8H2,(H3,16,18,19);1-4,6-7H,5,8H2,(H,18,19)(H3,15,16,17);2,4,6-8H,1,3,5H2,(H3,13,14,15);1-2,4,6-7H,3,5H2,(H3,12,13,14);1-3,5-6H,4,7H2,(H3,12,13,14);1-2,4,6-7H,3,5H2,(H3,12,13,14).
What are the key properties of 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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?
5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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 has a molecular weight of 1918.21 g/mol, XLogP of 9.09, 30 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1H-benzimidazol-2-ylmethyl)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-(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 is sourced from PubChem (CID 160505651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).