4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole

C17H11F5N2O — CID 12973071

IUPAC4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
SMILESFc1ccc(-c2cn(Cc3ccc(OC(F)(F)F)cc3)cn2)c(F)c1
InChIInChI=1S/C17H11F5N2O/c18-12-3-6-14(15(19)7-12)16-9-24(10-23-16)8-11-1-4-13(5-2-11)25-17(20,21)22/h1-7,9-10H,8H2
InChIKeyVVLHMPLMZWCDNS-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.78
Rot. Bonds4

About 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole

4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole (PubChem CID 12973071) has the molecular formula C17H11F5N2O and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
PubChem CID12973071
Molecular FormulaC17H11F5N2O
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
SMILESFc1ccc(-c2cn(Cc3ccc(OC(F)(F)F)cc3)cn2)c(F)c1
InChIInChI=1S/C17H11F5N2O/c18-12-3-6-14(15(19)7-12)16-9-24(10-23-16)8-11-1-4-13(5-2-11)25-17(20,21)22/h1-7,9-10H,8H2
InChIKeyVVLHMPLMZWCDNS-UHFFFAOYSA-N
XLogP4.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
The IUPAC name of 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole (CID 12973071) is 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole is Fc1ccc(-c2cn(Cc3ccc(OC(F)(F)F)cc3)cn2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
The InChIKey is VVLHMPLMZWCDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O/c18-12-3-6-14(15(19)7-12)16-9-24(10-23-16)8-11-1-4-13(5-2-11)25-17(20,21)22/h1-7,9-10H,8H2.
What are the key properties of 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole?
4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole has a molecular weight of 354.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole is sourced from PubChem (CID 12973071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).