4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline

C16H14FN3O — CID 24948648

IUPAC4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline
SMILESFc1ccc(NCc2cnc[nH]2)cc1Oc1ccccc1
InChIInChI=1S/C16H14FN3O/c17-15-7-6-12(19-10-13-9-18-11-20-13)8-16(15)21-14-4-2-1-3-5-14/h1-9,11,19H,10H2,(H,18,20)
InChIKeyHONZJCLGESJGNL-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.95
Rot. Bonds5

About 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline

4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline (PubChem CID 24948648) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline
PubChem CID24948648
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline
SMILESFc1ccc(NCc2cnc[nH]2)cc1Oc1ccccc1
InChIInChI=1S/C16H14FN3O/c17-15-7-6-12(19-10-13-9-18-11-20-13)8-16(15)21-14-4-2-1-3-5-14/h1-9,11,19H,10H2,(H,18,20)
InChIKeyHONZJCLGESJGNL-UHFFFAOYSA-N
XLogP3.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline?
The IUPAC name of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline (CID 24948648) is 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline.
What is the SMILES notation for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline?
The canonical SMILES for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline is Fc1ccc(NCc2cnc[nH]2)cc1Oc1ccccc1.
What is the InChIKey of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline?
The InChIKey is HONZJCLGESJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-15-7-6-12(19-10-13-9-18-11-20-13)8-16(15)21-14-4-2-1-3-5-14/h1-9,11,19H,10H2,(H,18,20).
What are the key properties of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline?
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline has a molecular weight of 283.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxyaniline is sourced from PubChem (CID 24948648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).