4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline

C15H11F3N4O — CID 59322784

IUPAC4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline
SMILESNc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)13-8-21-14(22-13)12-7-11(5-6-20-12)23-10-3-1-9(19)2-4-10/h1-8H,19H2,(H,21,22)
InChIKeyNOYSJZWRAZXGCD-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.87
Rot. Bonds3

About 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline

4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline (PubChem CID 59322784) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline
PubChem CID59322784
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline
SMILESNc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)13-8-21-14(22-13)12-7-11(5-6-20-12)23-10-3-1-9(19)2-4-10/h1-8H,19H2,(H,21,22)
InChIKeyNOYSJZWRAZXGCD-UHFFFAOYSA-N
XLogP3.87
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline?
The IUPAC name of 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline (CID 59322784) is 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline?
The canonical SMILES for 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline is Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1.
What is the InChIKey of 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline?
The InChIKey is NOYSJZWRAZXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)13-8-21-14(22-13)12-7-11(5-6-20-12)23-10-3-1-9(19)2-4-10/h1-8H,19H2,(H,21,22).
What are the key properties of 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline?
4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline has a molecular weight of 320.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 59322784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).