1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane

C85H61BrF9IN18O — CID 159362449

IUPAC1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1.CCI.Fc1ccc(-c2cn(-c3ccc(F)cc3)cn2)cc1.Fc1ccc(-c2cnc[nH]2)cc1.Fc1ccc(-c2ncn(-c3ccc(F)cc3)c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C23H16F2N6O.C21H14F2N6.C15H9BrF2N2.C15H10F2N2.C9H7FN2.C2H5I/c1-14(32)27-20-12-31-21(28-20)11-10-19(29-31)23-22(15-2-4-16(24)5-3-15)26-13-30(23)18-8-6-17(25)7-9-18;22-14-3-1-13(2-4-14)20-21(17-9-10-19-26-18(24)11-29(19)27-17)28(12-25-20)16-7-5-15(23)6-8-16;16-15-14(10-1-3-11(17)4-2-10)19-9-20(15)13-7-5-12(18)6-8-13;16-12-3-1-11(2-4-12)15-9-19(10-18-15)14-7-5-13(17)6-8-14;10-8-3-1-7(2-4-8)9-5-11-6-12-9;1-2-3/h2-13H,1H3,(H,27,32);1-12H,24H2;1-9H;1-10H;1-6H,(H,11,12);2H2,1H3
InChIKeyLISBHNMDGYWNDA-UHFFFAOYSA-N
MW1728.34 g/mol
LogP20.65
Rot. Bonds12

About 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane

1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane (PubChem CID 159362449) has the molecular formula C85H61BrF9IN18O and a molecular weight of 1728.34 g/mol. Its IUPAC name is 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane.

Molecular Properties

Compound Name1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane
PubChem CID159362449
Molecular FormulaC85H61BrF9IN18O
Molecular Weight1728.34 g/mol
Exact Mass1726.34
IUPAC Name1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1.CCI.Fc1ccc(-c2cn(-c3ccc(F)cc3)cn2)cc1.Fc1ccc(-c2cnc[nH]2)cc1.Fc1ccc(-c2ncn(-c3ccc(F)cc3)c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C23H16F2N6O.C21H14F2N6.C15H9BrF2N2.C15H10F2N2.C9H7FN2.C2H5I/c1-14(32)27-20-12-31-21(28-20)11-10-19(29-31)23-22(15-2-4-16(24)5-3-15)26-13-30(23)18-8-6-17(25)7-9-18;22-14-3-1-13(2-4-14)20-21(17-9-10-19-26-18(24)11-29(19)27-17)28(12-25-20)16-7-5-15(23)6-8-16;16-15-14(10-1-3-11(17)4-2-10)19-9-20(15)13-7-5-12(18)6-8-13;16-12-3-1-11(2-4-12)15-9-19(10-18-15)14-7-5-13(17)6-8-14;10-8-3-1-7(2-4-8)9-5-11-6-12-9;1-2-3/h2-13H,1H3,(H,27,32);1-12H,24H2;1-9H;1-10H;1-6H,(H,11,12);2H2,1H3
InChIKeyLISBHNMDGYWNDA-UHFFFAOYSA-N
XLogP20.65
TPSA215.46 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.34
LogP ≤ 520.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane with MolForge

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Related Compounds

N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-1H-imidazole-2-carboxamide
CID 118538773
1-[[3-[(2,4-difluorophenyl)methyl-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-3-(5-methyl-1H-pyrazol-4-yl)propyl]-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-1-[2-[(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]ethyl]imidazolidin-1-ium-2-one
CID 87551145
2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
4-[6-[2-[(3,4-difluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3-difluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035661
5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-b]pyridine;2,2-difluoro-N-[(3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 157292618
7-Bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 157562004
7-Bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethylpyrazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
CID 157854405
7-Bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 158845819
7-Bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
CID 159146910
2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 160119483
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 160724354
5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-b]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 164954953

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane?
The IUPAC name of 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane (CID 159362449) is 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane.
What is the SMILES notation for 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane?
The canonical SMILES for 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1.CCI.Fc1ccc(-c2cn(-c3ccc(F)cc3)cn2)cc1.Fc1ccc(-c2cnc[nH]2)cc1.Fc1ccc(-c2ncn(-c3ccc(F)cc3)c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane?
The InChIKey is LISBHNMDGYWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O.C21H14F2N6.C15H9BrF2N2.C15H10F2N2.C9H7FN2.C2H5I/c1-14(32)27-20-12-31-21(28-20)11-10-19(29-31)23-22(15-2-4-16(24)5-3-15)26-13-30(23)18-8-6-17(25)7-9-18;22-14-3-1-13(2-4-14)20-21(17-9-10-19-26-18(24)11-29(19)27-17)28(12-25-20)16-7-5-15(23)6-8-16;16-15-14(10-1-3-11(17)4-2-10)19-9-20(15)13-7-5-12(18)6-8-13;16-12-3-1-11(2-4-12)15-9-19(10-18-15)14-7-5-13(17)6-8-14;10-8-3-1-7(2-4-8)9-5-11-6-12-9;1-2-3/h2-13H,1H3,(H,27,32);1-12H,24H2;1-9H;1-10H;1-6H,(H,11,12);2H2,1H3.
What are the key properties of 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane?
1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane has a molecular weight of 1728.34 g/mol, XLogP of 20.65, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-fluorophenyl)imidazole;6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide;5-bromo-1,4-bis(4-fluorophenyl)imidazole;5-(4-fluorophenyl)-1H-imidazole;iodoethane is sourced from PubChem (CID 159362449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).