2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

C18H14ClF4N3O — CID 90644776

IUPAC2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESNc1nc(-c2ccc(F)cc2)cn1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H14ClF4N3O/c19-14-7-11(18(21,22)23)3-6-13(14)16(27)9-26-8-15(25-17(26)24)10-1-4-12(20)5-2-10/h1-8,16,27H,9H2,(H2,24,25)
InChIKeyFOYATTRUCTWKBC-UHFFFAOYSA-N
MW399.78 g/mol
LogP4.68
Rot. Bonds4

About 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 90644776) has the molecular formula C18H14ClF4N3O and a molecular weight of 399.78 g/mol. Its IUPAC name is 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID90644776
Molecular FormulaC18H14ClF4N3O
Molecular Weight399.78 g/mol
Exact Mass399.08
IUPAC Name2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESNc1nc(-c2ccc(F)cc2)cn1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H14ClF4N3O/c19-14-7-11(18(21,22)23)3-6-13(14)16(27)9-26-8-15(25-17(26)24)10-1-4-12(20)5-2-10/h1-8,16,27H,9H2,(H2,24,25)
InChIKeyFOYATTRUCTWKBC-UHFFFAOYSA-N
XLogP4.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (CID 90644776) is 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is Nc1nc(-c2ccc(F)cc2)cn1CC(O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FOYATTRUCTWKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N3O/c19-14-7-11(18(21,22)23)3-6-13(14)16(27)9-26-8-15(25-17(26)24)10-1-4-12(20)5-2-10/h1-8,16,27H,9H2,(H2,24,25).
What are the key properties of 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 399.78 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 90644776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).