1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole

C109H120Br4F7N21O5S7 — CID 159317902

IUPAC1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole
SMILESBrc1ncn(-c2cnc(N3CCCCC3)[nH]2)c1Br.Brc1ncn(-c2csc(N3CCCCC3)n2)c1Br.COc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F.COc1c(F)cccc1-c1csc(N2CCCCC2)n1.COc1cc(F)ccc1-c1csc(N2CCCCC2)n1.Oc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F.Oc1c(F)cccc1-c1csc(N2CCCCC2)n1.c1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H16F2N2OS.2C15H17FN2OS.C14H14F2N2OS.C14H15FN2OS.C14H16N2S.C11H13Br2N5.C11H12Br2N4S/c1-20-14-10(5-6-11(16)13(14)17)12-9-21-15(18-12)19-7-3-2-4-8-19;1-19-14-11(6-5-7-12(14)16)13-10-20-15(17-13)18-8-3-2-4-9-18;1-19-14-9-11(16)5-6-12(14)13-10-20-15(17-13)18-7-3-2-4-8-18;15-10-5-4-9(13(19)12(10)16)11-8-20-14(17-11)18-6-2-1-3-7-18;15-11-6-4-5-10(13(11)18)12-9-19-14(16-12)17-7-2-1-3-8-17;1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16;12-9-10(13)18(7-15-9)8-6-14-11(16-8)17-4-2-1-3-5-17;12-9-10(13)17(7-14-9)8-6-18-11(15-8)16-4-2-1-3-5-16/h5-6,9H,2-4,7-8H2,1H3;5-7,10H,2-4,8-9H2,1H3;5-6,9-10H,2-4,7-8H2,1H3;4-5,8,19H,1-3,6-7H2;4-6,9,18H,1-3,7-8H2;1,3-4,7-8,11H,2,5-6,9-10H2;6-7H,1-5H2,(H,14,16);6-7H,1-5H2
InChIKeyLDJOWQHHXTWJFI-UHFFFAOYSA-N
MW2481.37 g/mol
LogP30.17
Rot. Bonds19

About 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole

1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole (PubChem CID 159317902) has the molecular formula C109H120Br4F7N21O5S7 and a molecular weight of 2481.37 g/mol. Its IUPAC name is 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole
PubChem CID159317902
Molecular FormulaC109H120Br4F7N21O5S7
Molecular Weight2481.37 g/mol
Exact Mass2475.44
IUPAC Name1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole
SMILESBrc1ncn(-c2cnc(N3CCCCC3)[nH]2)c1Br.Brc1ncn(-c2csc(N3CCCCC3)n2)c1Br.COc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F.COc1c(F)cccc1-c1csc(N2CCCCC2)n1.COc1cc(F)ccc1-c1csc(N2CCCCC2)n1.Oc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F.Oc1c(F)cccc1-c1csc(N2CCCCC2)n1.c1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H16F2N2OS.2C15H17FN2OS.C14H14F2N2OS.C14H15FN2OS.C14H16N2S.C11H13Br2N5.C11H12Br2N4S/c1-20-14-10(5-6-11(16)13(14)17)12-9-21-15(18-12)19-7-3-2-4-8-19;1-19-14-11(6-5-7-12(14)16)13-10-20-15(17-13)18-8-3-2-4-9-18;1-19-14-9-11(16)5-6-12(14)13-10-20-15(17-13)18-7-3-2-4-8-18;15-10-5-4-9(13(19)12(10)16)11-8-20-14(17-11)18-6-2-1-3-7-18;15-11-6-4-5-10(13(11)18)12-9-19-14(16-12)17-7-2-1-3-8-17;1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16;12-9-10(13)18(7-15-9)8-6-14-11(16-8)17-4-2-1-3-5-17;12-9-10(13)17(7-14-9)8-6-18-11(15-8)16-4-2-1-3-5-16/h5-6,9H,2-4,7-8H2,1H3;5-7,10H,2-4,8-9H2,1H3;5-6,9-10H,2-4,7-8H2,1H3;4-5,8,19H,1-3,6-7H2;4-6,9,18H,1-3,7-8H2;1,3-4,7-8,11H,2,5-6,9-10H2;6-7H,1-5H2,(H,14,16);6-7H,1-5H2
InChIKeyLDJOWQHHXTWJFI-UHFFFAOYSA-N
XLogP30.17
TPSA248.62 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.37
LogP ≤ 530.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole with MolForge

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Related Compounds

4-(3,4-Difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-fluoro-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 159322680
4-(3,4-Difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-fluoro-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 161607603

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole (CID 159317902) is 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole is Brc1ncn(-c2cnc(N3CCCCC3)[nH]2)c1Br.Brc1ncn(-c2csc(N3CCCCC3)n2)c1Br.COc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F.COc1c(F)cccc1-c1csc(N2CCCCC2)n1.COc1cc(F)ccc1-c1csc(N2CCCCC2)n1.Oc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F.Oc1c(F)cccc1-c1csc(N2CCCCC2)n1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is LDJOWQHHXTWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS.2C15H17FN2OS.C14H14F2N2OS.C14H15FN2OS.C14H16N2S.C11H13Br2N5.C11H12Br2N4S/c1-20-14-10(5-6-11(16)13(14)17)12-9-21-15(18-12)19-7-3-2-4-8-19;1-19-14-11(6-5-7-12(14)16)13-10-20-15(17-13)18-8-3-2-4-9-18;1-19-14-9-11(16)5-6-12(14)13-10-20-15(17-13)18-7-3-2-4-8-18;15-10-5-4-9(13(19)12(10)16)11-8-20-14(17-11)18-6-2-1-3-7-18;15-11-6-4-5-10(13(11)18)12-9-19-14(16-12)17-7-2-1-3-8-17;1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16;12-9-10(13)18(7-15-9)8-6-14-11(16-8)17-4-2-1-3-5-17;12-9-10(13)17(7-14-9)8-6-18-11(15-8)16-4-2-1-3-5-16/h5-6,9H,2-4,7-8H2,1H3;5-7,10H,2-4,8-9H2,1H3;5-6,9-10H,2-4,7-8H2,1H3;4-5,8,19H,1-3,6-7H2;4-6,9,18H,1-3,7-8H2;1,3-4,7-8,11H,2,5-6,9-10H2;6-7H,1-5H2,(H,14,16);6-7H,1-5H2.
What are the key properties of 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole?
1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 2481.37 g/mol, XLogP of 30.17, 19 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dibromoimidazol-1-yl)-1H-imidazol-2-yl]piperidine;4-(4,5-dibromoimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(3,4-difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-phenyl-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 159317902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).