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

C17H13F3N2O — CID 82560732

IUPAC2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
SMILESOc1ccccc1Cn1ccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-7-5-12(6-8-14)16-21-9-10-22(16)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2
InChIKeyLYUYJVLNUHXOPZ-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.32
Rot. Bonds3

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

2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol (PubChem CID 82560732) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
PubChem CID82560732
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
SMILESOc1ccccc1Cn1ccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-7-5-12(6-8-14)16-21-9-10-22(16)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2
InChIKeyLYUYJVLNUHXOPZ-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol (CID 82560732) is 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol is Oc1ccccc1Cn1ccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
The InChIKey is LYUYJVLNUHXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)14-7-5-12(6-8-14)16-21-9-10-22(16)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2.
What are the key properties of 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol has a molecular weight of 318.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).