4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole

C10H3Br2Cl2F3N2 — CID 18947680

IUPAC4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1cc(Cl)c(-c2nc(Br)c(Br)[nH]2)c(Cl)c1
InChIInChI=1S/C10H3Br2Cl2F3N2/c11-7-8(12)19-9(18-7)6-4(13)1-3(2-5(6)14)10(15,16)17/h1-2H,(H,18,19)
InChIKeyRDNSHEAQQIXICZ-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.93
Rot. Bonds1

About 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole

4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 18947680) has the molecular formula C10H3Br2Cl2F3N2 and a molecular weight of 438.86 g/mol. Its IUPAC name is 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID18947680
Molecular FormulaC10H3Br2Cl2F3N2
Molecular Weight438.86 g/mol
Exact Mass435.80
IUPAC Name4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1cc(Cl)c(-c2nc(Br)c(Br)[nH]2)c(Cl)c1
InChIInChI=1S/C10H3Br2Cl2F3N2/c11-7-8(12)19-9(18-7)6-4(13)1-3(2-5(6)14)10(15,16)17/h1-2H,(H,18,19)
InChIKeyRDNSHEAQQIXICZ-UHFFFAOYSA-N
XLogP5.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole (CID 18947680) is 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole is FC(F)(F)c1cc(Cl)c(-c2nc(Br)c(Br)[nH]2)c(Cl)c1.
What is the InChIKey of 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is RDNSHEAQQIXICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Br2Cl2F3N2/c11-7-8(12)19-9(18-7)6-4(13)1-3(2-5(6)14)10(15,16)17/h1-2H,(H,18,19).
What are the key properties of 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole?
4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 438.86 g/mol, XLogP of 5.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 18947680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).