3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine

C16H12F4N4O — CID 143409088

IUPAC3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ncn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C16H12F4N4O/c17-10-3-5-11(6-4-10)24-9-23-12(14(24)16(18,19)20)8-25-13-2-1-7-22-15(13)21/h1-7,9H,8H2,(H2,21,22)
InChIKeyWROJNYKCOGHBEL-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.59
Rot. Bonds4

About 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine

3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine (PubChem CID 143409088) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine
PubChem CID143409088
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ncn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C16H12F4N4O/c17-10-3-5-11(6-4-10)24-9-23-12(14(24)16(18,19)20)8-25-13-2-1-7-22-15(13)21/h1-7,9H,8H2,(H2,21,22)
InChIKeyWROJNYKCOGHBEL-UHFFFAOYSA-N
XLogP3.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine?
The IUPAC name of 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine (CID 143409088) is 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine?
The canonical SMILES for 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine is Nc1ncccc1OCc1ncn(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine?
The InChIKey is WROJNYKCOGHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c17-10-3-5-11(6-4-10)24-9-23-12(14(24)16(18,19)20)8-25-13-2-1-7-22-15(13)21/h1-7,9H,8H2,(H2,21,22).
What are the key properties of 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine?
3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine has a molecular weight of 352.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-4-yl]methoxy]pyridin-2-amine is sourced from PubChem (CID 143409088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).