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

C16H10ClF3N2O — CID 11078284

IUPAC4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol
SMILESOc1ccc(Cl)cc1-n1ccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10ClF3N2O/c17-12-5-6-14(23)13(9-12)22-8-7-21-15(22)10-1-3-11(4-2-10)16(18,19)20/h1-9,23H
InChIKeySJUIMOBXGMTIDW-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.92
Rot. Bonds2

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

4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol (PubChem CID 11078284) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol
PubChem CID11078284
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol
SMILESOc1ccc(Cl)cc1-n1ccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10ClF3N2O/c17-12-5-6-14(23)13(9-12)22-8-7-21-15(22)10-1-3-11(4-2-10)16(18,19)20/h1-9,23H
InChIKeySJUIMOBXGMTIDW-UHFFFAOYSA-N
XLogP4.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol?
The IUPAC name of 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol (CID 11078284) is 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol.
What is the SMILES notation for 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol?
The canonical SMILES for 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol is Oc1ccc(Cl)cc1-n1ccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol?
The InChIKey is SJUIMOBXGMTIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-12-5-6-14(23)13(9-12)22-8-7-21-15(22)10-1-3-11(4-2-10)16(18,19)20/h1-9,23H.
What are the key properties of 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol?
4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol has a molecular weight of 338.72 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenol is sourced from PubChem (CID 11078284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).