1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole

C18H17F3N2O — CID 2884642

IUPAC1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole
SMILESCC1(C)C(c2ccccc2)=NC(c2ccc(C(F)(F)F)cc2)N1O
InChIInChI=1S/C18H17F3N2O/c1-17(2)15(12-6-4-3-5-7-12)22-16(23(17)24)13-8-10-14(11-9-13)18(19,20)21/h3-11,16,24H,1-2H3
InChIKeySZHGGNGAKMTGHM-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.68
Rot. Bonds2

About 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole

1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole (PubChem CID 2884642) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole.

Molecular Properties

Compound Name1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole
PubChem CID2884642
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole
SMILESCC1(C)C(c2ccccc2)=NC(c2ccc(C(F)(F)F)cc2)N1O
InChIInChI=1S/C18H17F3N2O/c1-17(2)15(12-6-4-3-5-7-12)22-16(23(17)24)13-8-10-14(11-9-13)18(19,20)21/h3-11,16,24H,1-2H3
InChIKeySZHGGNGAKMTGHM-UHFFFAOYSA-N
XLogP4.68
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole?
The IUPAC name of 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole (CID 2884642) is 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole.
What is the SMILES notation for 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole?
The canonical SMILES for 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole is CC1(C)C(c2ccccc2)=NC(c2ccc(C(F)(F)F)cc2)N1O.
What is the InChIKey of 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole?
The InChIKey is SZHGGNGAKMTGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-17(2)15(12-6-4-3-5-7-12)22-16(23(17)24)13-8-10-14(11-9-13)18(19,20)21/h3-11,16,24H,1-2H3.
What are the key properties of 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole?
1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole has a molecular weight of 334.34 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5,5-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2H-imidazole is sourced from PubChem (CID 2884642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).