4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline

C19H20FN3O — CID 24948080

IUPAC4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C19H20FN3O/c1-14(2)23(12-15-11-21-13-22-15)16-8-9-18(20)19(10-16)24-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,21,22)
InChIKeyAVBWUVOOKROSBS-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.76
Rot. Bonds6

About 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline

4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline (PubChem CID 24948080) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline
PubChem CID24948080
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C19H20FN3O/c1-14(2)23(12-15-11-21-13-22-15)16-8-9-18(20)19(10-16)24-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,21,22)
InChIKeyAVBWUVOOKROSBS-UHFFFAOYSA-N
XLogP4.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
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-phenoxy-N-propan-2-ylaniline?
The IUPAC name of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline (CID 24948080) is 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline.
What is the SMILES notation for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
The canonical SMILES for 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
The InChIKey is AVBWUVOOKROSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-14(2)23(12-15-11-21-13-22-15)16-8-9-18(20)19(10-16)24-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,21,22).
What are the key properties of 4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline has a molecular weight of 325.39 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 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-phenoxy-N-propan-2-ylaniline is sourced from PubChem (CID 24948080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).