1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)

C42H38Br2Cl4F2N4O5 — CID 159274581

IUPAC1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)
SMILESCCC1(O)CN(c2ccc(Br)cc2F)C(C(C)(C)c2c(Cl)cccc2Cl)=N1.CCc1cn(-c2ccc(Br)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1.O=C=O.O=C=O
InChIInChI=1S/C20H20BrCl2FN2O.C20H18BrCl2FN2.2CO2/c1-4-20(27)11-26(16-9-8-12(21)10-15(16)24)18(25-20)19(2,3)17-13(22)6-5-7-14(17)23;1-4-13-11-26(17-9-8-12(21)10-16(17)24)19(25-13)20(2,3)18-14(22)6-5-7-15(18)23;2*2-1-3/h5-10,27H,4,11H2,1-3H3;5-11H,4H2,1-3H3;;
InChIKeyKYDGERAJOYAEPI-UHFFFAOYSA-N
MW1018.40 g/mol
LogP11.99
Rot. Bonds8

About 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)

1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide) (PubChem CID 159274581) has the molecular formula C42H38Br2Cl4F2N4O5 and a molecular weight of 1018.40 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide).

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)
PubChem CID159274581
Molecular FormulaC42H38Br2Cl4F2N4O5
Molecular Weight1018.40 g/mol
Exact Mass1013.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)
SMILESCCC1(O)CN(c2ccc(Br)cc2F)C(C(C)(C)c2c(Cl)cccc2Cl)=N1.CCc1cn(-c2ccc(Br)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1.O=C=O.O=C=O
InChIInChI=1S/C20H20BrCl2FN2O.C20H18BrCl2FN2.2CO2/c1-4-20(27)11-26(16-9-8-12(21)10-15(16)24)18(25-20)19(2,3)17-13(22)6-5-7-14(17)23;1-4-13-11-26(17-9-8-12(21)10-16(17)24)19(25-13)20(2,3)18-14(22)6-5-7-15(18)23;2*2-1-3/h5-10,27H,4,11H2,1-3H3;5-11H,4H2,1-3H3;;
InChIKeyKYDGERAJOYAEPI-UHFFFAOYSA-N
XLogP11.99
TPSA121.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.40
LogP ≤ 511.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide) (CID 159274581) is 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide).
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide) is CCC1(O)CN(c2ccc(Br)cc2F)C(C(C)(C)c2c(Cl)cccc2Cl)=N1.CCc1cn(-c2ccc(Br)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1.O=C=O.O=C=O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)?
The InChIKey is KYDGERAJOYAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrCl2FN2O.C20H18BrCl2FN2.2CO2/c1-4-20(27)11-26(16-9-8-12(21)10-15(16)24)18(25-20)19(2,3)17-13(22)6-5-7-14(17)23;1-4-13-11-26(17-9-8-12(21)10-16(17)24)19(25-13)20(2,3)18-14(22)6-5-7-15(18)23;2*2-1-3/h5-10,27H,4,11H2,1-3H3;5-11H,4H2,1-3H3;;.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide)?
1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide) has a molecular weight of 1018.40 g/mol, XLogP of 11.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-4-ethylimidazole;3-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]-5-ethyl-4H-imidazol-5-ol;bis(carbon dioxide) is sourced from PubChem (CID 159274581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).