4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole

C16H9BrCl2F2N2O — CID 66896877

IUPAC4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
SMILESCOc1ccc(F)c(-c2c(Br)nc(Cl)n2-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H9BrCl2F2N2O/c1-24-11-7-6-10(20)12(13(11)21)14-15(17)22-16(19)23(14)9-4-2-8(18)3-5-9/h2-7H,1H3
InChIKeyJKUXPYOTEGTSTG-UHFFFAOYSA-N
MW434.07 g/mol
LogP5.90
Rot. Bonds3

About 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole

4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole (PubChem CID 66896877) has the molecular formula C16H9BrCl2F2N2O and a molecular weight of 434.07 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
PubChem CID66896877
Molecular FormulaC16H9BrCl2F2N2O
Molecular Weight434.07 g/mol
Exact Mass431.92
IUPAC Name4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
SMILESCOc1ccc(F)c(-c2c(Br)nc(Cl)n2-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H9BrCl2F2N2O/c1-24-11-7-6-10(20)12(13(11)21)14-15(17)22-16(19)23(14)9-4-2-8(18)3-5-9/h2-7H,1H3
InChIKeyJKUXPYOTEGTSTG-UHFFFAOYSA-N
XLogP5.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.07
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
The IUPAC name of 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole (CID 66896877) is 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole.
What is the SMILES notation for 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
The canonical SMILES for 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole is COc1ccc(F)c(-c2c(Br)nc(Cl)n2-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
The InChIKey is JKUXPYOTEGTSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2F2N2O/c1-24-11-7-6-10(20)12(13(11)21)14-15(17)22-16(19)23(14)9-4-2-8(18)3-5-9/h2-7H,1H3.
What are the key properties of 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole has a molecular weight of 434.07 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole is sourced from PubChem (CID 66896877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).