4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol

C17H12ClF3N2O — CID 10948169

IUPAC4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol
SMILESOc1ccc(Cl)cc1Cc1nccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12ClF3N2O/c18-13-3-6-15(24)11(9-13)10-16-22-7-8-23(16)14-4-1-12(2-5-14)17(19,20)21/h1-9,24H,10H2
InChIKeyFDHCDOWYRLCMRJ-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.84
Rot. Bonds3

About 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol

4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol (PubChem CID 10948169) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol
PubChem CID10948169
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol
SMILESOc1ccc(Cl)cc1Cc1nccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12ClF3N2O/c18-13-3-6-15(24)11(9-13)10-16-22-7-8-23(16)14-4-1-12(2-5-14)17(19,20)21/h1-9,24H,10H2
InChIKeyFDHCDOWYRLCMRJ-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol?
The IUPAC name of 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol (CID 10948169) is 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol is Oc1ccc(Cl)cc1Cc1nccn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol?
The InChIKey is FDHCDOWYRLCMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-13-3-6-15(24)11(9-13)10-16-22-7-8-23(16)14-4-1-12(2-5-14)17(19,20)21/h1-9,24H,10H2.
What are the key properties of 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol?
4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol has a molecular weight of 352.74 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol is sourced from PubChem (CID 10948169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).