5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol

C30H26Br2F2I2N8O — CID 165044862

IUPAC5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
SMILESCCn1ncc(C(O)c2cncn2-c2ccc(F)cc2I)c1Br.CCn1ncc(Cc2cncn2-c2ccc(F)cc2I)c1Br
InChIInChI=1S/C15H13BrFIN4O.C15H13BrFIN4/c1-2-22-15(16)10(6-20-22)14(23)13-7-19-8-21(13)12-4-3-9(17)5-11(12)18;1-2-22-15(16)10(7-20-22)5-12-8-19-9-21(12)14-4-3-11(17)6-13(14)18/h3-8,14,23H,2H2,1H3;3-4,6-9H,2,5H2,1H3
InChIKeyOSPWZGQVMQCZLL-UHFFFAOYSA-N
MW966.20 g/mol
LogP7.86
Rot. Bonds8

About 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol

5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol (PubChem CID 165044862) has the molecular formula C30H26Br2F2I2N8O and a molecular weight of 966.20 g/mol. Its IUPAC name is 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
PubChem CID165044862
Molecular FormulaC30H26Br2F2I2N8O
Molecular Weight966.20 g/mol
Exact Mass963.87
IUPAC Name5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
SMILESCCn1ncc(C(O)c2cncn2-c2ccc(F)cc2I)c1Br.CCn1ncc(Cc2cncn2-c2ccc(F)cc2I)c1Br
InChIInChI=1S/C15H13BrFIN4O.C15H13BrFIN4/c1-2-22-15(16)10(6-20-22)14(23)13-7-19-8-21(13)12-4-3-9(17)5-11(12)18;1-2-22-15(16)10(7-20-22)5-12-8-19-9-21(12)14-4-3-11(17)6-13(14)18/h3-8,14,23H,2H2,1H3;3-4,6-9H,2,5H2,1H3
InChIKeyOSPWZGQVMQCZLL-UHFFFAOYSA-N
XLogP7.86
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.20
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol with MolForge

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Related Compounds

(5-Bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol
CID 164719424
5-Bromo-1-ethyl-4-iodopyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol;3-(4-fluoro-2-iodophenyl)imidazole-4-carbaldehyde
CID 164961653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
The IUPAC name of 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol (CID 165044862) is 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol.
What is the SMILES notation for 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
The canonical SMILES for 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol is CCn1ncc(C(O)c2cncn2-c2ccc(F)cc2I)c1Br.CCn1ncc(Cc2cncn2-c2ccc(F)cc2I)c1Br.
What is the InChIKey of 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
The InChIKey is OSPWZGQVMQCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFIN4O.C15H13BrFIN4/c1-2-22-15(16)10(6-20-22)14(23)13-7-19-8-21(13)12-4-3-9(17)5-11(12)18;1-2-22-15(16)10(7-20-22)5-12-8-19-9-21(12)14-4-3-11(17)6-13(14)18/h3-8,14,23H,2H2,1H3;3-4,6-9H,2,5H2,1H3.
What are the key properties of 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol?
5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol has a molecular weight of 966.20 g/mol, XLogP of 7.86, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-4-[[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methyl]pyrazole;(5-bromo-1-ethylpyrazol-4-yl)-[3-(4-fluoro-2-iodophenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 165044862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).