4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol

C21H14F4N2O3 — CID 145093195

IUPAC4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol
SMILESCc1[nH]c(-c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)o2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H14F4N2O3/c1-11-19(12-2-5-14(22)6-3-12)27-20(26-11)17-9-8-16(29-17)13-4-7-15(28)18(10-13)30-21(23,24)25/h2-10,28H,1H3,(H,26,27)
InChIKeyHEYBBRLUJAGYNL-UHFFFAOYSA-N
MW418.35 g/mol
LogP6.06
Rot. Bonds4

About 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol

4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol (PubChem CID 145093195) has the molecular formula C21H14F4N2O3 and a molecular weight of 418.35 g/mol. Its IUPAC name is 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol
PubChem CID145093195
Molecular FormulaC21H14F4N2O3
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol
SMILESCc1[nH]c(-c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)o2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H14F4N2O3/c1-11-19(12-2-5-14(22)6-3-12)27-20(26-11)17-9-8-16(29-17)13-4-7-15(28)18(10-13)30-21(23,24)25/h2-10,28H,1H3,(H,26,27)
InChIKeyHEYBBRLUJAGYNL-UHFFFAOYSA-N
XLogP6.06
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-chloro-3-(trifluoromethoxy)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole;2-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-4-(4-fluorophenyl)-5-methyl-1H-imidazole;2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole;2-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 161014798
CID 145093303
CID 145093303
2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 145093347
4-(4-bromophenyl)-5-methyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole;4-(2-chlorophenyl)-5-methyl-2-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]-1H-imidazole;4-(4-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]-1H-imidazole;2-[5-[4-chloro-3-(trifluoromethoxy)phenyl]furan-2-yl]-4-(4-fluorophenyl)-5-methyl-1H-imidazole;5-methyl-2-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]-4-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 159748310
[5-(5-methyl-4-phenyl-1H-imidazol-2-yl)furan-2-yl]methanamine
CID 103386822
4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol
CID 137341333
4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol
CID 137335370
4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
CID 138384706
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethoxy)phenol
CID 138386078
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol (CID 145093195) is 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol is Cc1[nH]c(-c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)o2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol?
The InChIKey is HEYBBRLUJAGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O3/c1-11-19(12-2-5-14(22)6-3-12)27-20(26-11)17-9-8-16(29-17)13-4-7-15(28)18(10-13)30-21(23,24)25/h2-10,28H,1H3,(H,26,27).
What are the key properties of 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol?
4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol has a molecular weight of 418.35 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 145093195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).