1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole

C42H38N18O2S2 — CID 158327625

IUPAC1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2ncc(Cc3ccoc3)[nH]2)n1.c1c[nH]c(-c2ncc(Cc3cscn3)[nH]2)n1.c1c[nH]c(-c2nccn2Cc2nccs2)n1.c1coc(Cn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/2C11H10N4O.2C10H9N5S/c1-4-16-7-8(1)5-9-6-14-11(15-9)10-12-2-3-13-10;1-2-9(16-7-1)8-15-6-5-14-11(15)10-12-3-4-13-10;1-2-12-9(11-1)10-13-4-7(15-10)3-8-5-16-6-14-8;1-2-13-9(12-1)10-14-3-5-15(10)7-8-11-4-6-16-8/h1-4,6-7H,5H2,(H,12,13)(H,14,15);1-7H,8H2,(H,12,13);1-2,4-6H,3H2,(H,11,12)(H,13,15);1-6H,7H2,(H,12,13)
InChIKeyGPPIQWLWPDFZOA-UHFFFAOYSA-N
MW891.02 g/mol
LogP7.52
Rot. Bonds12

About 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole

1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole (PubChem CID 158327625) has the molecular formula C42H38N18O2S2 and a molecular weight of 891.02 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
PubChem CID158327625
Molecular FormulaC42H38N18O2S2
Molecular Weight891.02 g/mol
Exact Mass890.29
IUPAC Name1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2ncc(Cc3ccoc3)[nH]2)n1.c1c[nH]c(-c2ncc(Cc3cscn3)[nH]2)n1.c1c[nH]c(-c2nccn2Cc2nccs2)n1.c1coc(Cn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/2C11H10N4O.2C10H9N5S/c1-4-16-7-8(1)5-9-6-14-11(15-9)10-12-2-3-13-10;1-2-9(16-7-1)8-15-6-5-14-11(15)10-12-3-4-13-10;1-2-12-9(11-1)10-13-4-7(15-10)3-8-5-16-6-14-8;1-2-13-9(12-1)10-14-3-5-15(10)7-8-11-4-6-16-8/h1-4,6-7H,5H2,(H,12,13)(H,14,15);1-7H,8H2,(H,12,13);1-2,4-6H,3H2,(H,11,12)(H,13,15);1-6H,7H2,(H,12,13)
InChIKeyGPPIQWLWPDFZOA-UHFFFAOYSA-N
XLogP7.52
TPSA259.78 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500891.02
LogP ≤ 57.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

[4-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 16389305
4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 86185787
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
4-(Furan-2-yl)-2-[4-(4-methoxyphenyl)-2H-imidazol-2-ylidene]-2,3-dihydro-1,3-thiazole
CID 136236742
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
CID 141008273
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-thiophen-2-yl-3-pyridinyl]-1,3-thiazole
CID 141017837
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
CID 141050974
2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-5-(2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
CID 141064059
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
CID 141203788
2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole
CID 141340997

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole (CID 158327625) is 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole is c1c[nH]c(-c2ncc(Cc3ccoc3)[nH]2)n1.c1c[nH]c(-c2ncc(Cc3cscn3)[nH]2)n1.c1c[nH]c(-c2nccn2Cc2nccs2)n1.c1coc(Cn2ccnc2-c2ncc[nH]2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
The InChIKey is GPPIQWLWPDFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10N4O.2C10H9N5S/c1-4-16-7-8(1)5-9-6-14-11(15-9)10-12-2-3-13-10;1-2-9(16-7-1)8-15-6-5-14-11(15)10-12-3-4-13-10;1-2-12-9(11-1)10-13-4-7(15-10)3-8-5-16-6-14-8;1-2-13-9(12-1)10-14-3-5-15(10)7-8-11-4-6-16-8/h1-4,6-7H,5H2,(H,12,13)(H,14,15);1-7H,8H2,(H,12,13);1-2,4-6H,3H2,(H,11,12)(H,13,15);1-6H,7H2,(H,12,13).
What are the key properties of 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole has a molecular weight of 891.02 g/mol, XLogP of 7.52, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-(1H-imidazol-2-yl)imidazole;5-(furan-3-ylmethyl)-2-(1H-imidazol-2-yl)-1H-imidazole;2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-1,3-thiazole;4-[[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 158327625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).