1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol

C26H25F3N4O2 — CID 71524981

IUPAC1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(C(O)C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C26H25F3N4O2/c1-33(2)15-16-35-21-9-7-20(8-10-21)25-31-22(23(32-25)18-11-13-30-14-12-18)17-3-5-19(6-4-17)24(34)26(27,28)29/h3-14,24,34H,15-16H2,1-2H3,(H,31,32)
InChIKeyRMZFXISHBRIXGU-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.34
Rot. Bonds8

About 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol

1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol (PubChem CID 71524981) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol
PubChem CID71524981
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(C(O)C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C26H25F3N4O2/c1-33(2)15-16-35-21-9-7-20(8-10-21)25-31-22(23(32-25)18-11-13-30-14-12-18)17-3-5-19(6-4-17)24(34)26(27,28)29/h3-14,24,34H,15-16H2,1-2H3,(H,31,32)
InChIKeyRMZFXISHBRIXGU-UHFFFAOYSA-N
XLogP5.34
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol (CID 71524981) is 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol is CN(C)CCOc1ccc(-c2nc(-c3ccc(C(O)C(F)(F)F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol?
The InChIKey is RMZFXISHBRIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-33(2)15-16-35-21-9-7-20(8-10-21)25-31-22(23(32-25)18-11-13-30-14-12-18)17-3-5-19(6-4-17)24(34)26(27,28)29/h3-14,24,34H,15-16H2,1-2H3,(H,31,32).
What are the key properties of 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol?
1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol has a molecular weight of 482.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 71524981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).