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

C11H3BrCl2F3N3 — CID 18947714

IUPAC5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1Br
InChIInChI=1S/C11H3BrCl2F3N3/c12-9-7(3-18)19-10(20-9)8-5(13)1-4(2-6(8)14)11(15,16)17/h1-2H,(H,19,20)
InChIKeyMYUYWJBIHYCMGY-UHFFFAOYSA-N
MW384.97 g/mol
LogP5.04
Rot. Bonds1

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

5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile (PubChem CID 18947714) has the molecular formula C11H3BrCl2F3N3 and a molecular weight of 384.97 g/mol. Its IUPAC name is 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile
PubChem CID18947714
Molecular FormulaC11H3BrCl2F3N3
Molecular Weight384.97 g/mol
Exact Mass382.88
IUPAC Name5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1Br
InChIInChI=1S/C11H3BrCl2F3N3/c12-9-7(3-18)19-10(20-9)8-5(13)1-4(2-6(8)14)11(15,16)17/h1-2H,(H,19,20)
InChIKeyMYUYWJBIHYCMGY-UHFFFAOYSA-N
XLogP5.04
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.97
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile?
The IUPAC name of 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile (CID 18947714) is 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile?
The canonical SMILES for 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile is N#Cc1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1Br.
What is the InChIKey of 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile?
The InChIKey is MYUYWJBIHYCMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3BrCl2F3N3/c12-9-7(3-18)19-10(20-9)8-5(13)1-4(2-6(8)14)11(15,16)17/h1-2H,(H,19,20).
What are the key properties of 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile?
5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile has a molecular weight of 384.97 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 18947714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).