4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole

C18H10ClF7N2 — CID 18755590

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFc1ccc(C(F)(F)F)cc1Cn1cnc(-c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H10ClF7N2/c19-14-3-1-10(6-13(14)18(24,25)26)16-8-28(9-27-16)7-11-5-12(17(21,22)23)2-4-15(11)20/h1-6,8-9H,7H2
InChIKeyXABUSSHSMULIDF-UHFFFAOYSA-N
MW422.73 g/mol
LogP6.43
Rot. Bonds3

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 18755590) has the molecular formula C18H10ClF7N2 and a molecular weight of 422.73 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID18755590
Molecular FormulaC18H10ClF7N2
Molecular Weight422.73 g/mol
Exact Mass422.04
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFc1ccc(C(F)(F)F)cc1Cn1cnc(-c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H10ClF7N2/c19-14-3-1-10(6-13(14)18(24,25)26)16-8-28(9-27-16)7-11-5-12(17(21,22)23)2-4-15(11)20/h1-6,8-9H,7H2
InChIKeyXABUSSHSMULIDF-UHFFFAOYSA-N
XLogP6.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.73
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole (CID 18755590) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole is Fc1ccc(C(F)(F)F)cc1Cn1cnc(-c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is XABUSSHSMULIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF7N2/c19-14-3-1-10(6-13(14)18(24,25)26)16-8-28(9-27-16)7-11-5-12(17(21,22)23)2-4-15(11)20/h1-6,8-9H,7H2.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 422.73 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 18755590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).