4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile

C22H20FN3O2 — CID 138471422

IUPAC4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile
SMILESC[C@H](COc1cccc(-n2ccnc2C2CC2)c1)Oc1ccc(C#N)cc1F
InChIInChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1
InChIKeyCNLDJPRZJYYHID-OAHLLOKOSA-N
MW377.42 g/mol
LogP4.61
Rot. Bonds7

About 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile

4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile (PubChem CID 138471422) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile
PubChem CID138471422
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile
SMILESC[C@H](COc1cccc(-n2ccnc2C2CC2)c1)Oc1ccc(C#N)cc1F
InChIInChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1
InChIKeyCNLDJPRZJYYHID-OAHLLOKOSA-N
XLogP4.61
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile with MolForge

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Related Compounds

4-[(2S)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-methoxybenzonitrile
CID 138471307
4-[2-[3-(2-Cyclopropylimidazol-1-yl)phenoxy]ethoxy]benzonitrile
CID 138471311
3-Chloro-4-[2-[3-(2-cyclopropylimidazol-1-yl)phenoxy]ethoxy]benzonitrile
CID 138471318
3-Chloro-4-[2-[3-(2-methylimidazol-1-yl)phenoxy]ethoxy]benzonitrile
CID 138471352
3-methoxy-4-[(2S)-1-[3-(2-methylimidazol-1-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471365
3-Methoxy-4-[2-[3-(2-methylimidazol-1-yl)phenoxy]ethoxy]benzonitrile
CID 138471402
3-Fluoro-4-[2-[2-(2-methylimidazol-1-yl)pyridin-4-yl]oxyethoxy]benzonitrile
CID 138471294
4-(2-((2-(2-cyclopropyl-1H-imidazol-1-yl)pyridin-4-yl)oxy)ethoxy)-3-fluorobenzonitrile
CID 138471398
1,2-bis(4-methoxyphenyl)-1H-imidazole
CID 11254493
4-(2-(4-fluoro-3-(2-methyl-1H-imidazol-1-yl)phenoxy)ethoxy) benzonitrile
CID 138471289
1-(3-(2-(4-chloro-2-fluorophenoxy) ethoxy)phenyl)-2-methyl-1H-imidazole
CID 138471302
5-fluoro-2-(2-(3-(2-methyl-1H-imidazol-1-yl)phenoxy)ethoxy) benzonitrile
CID 138471310

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile?
The IUPAC name of 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile (CID 138471422) is 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile is C[C@H](COc1cccc(-n2ccnc2C2CC2)c1)Oc1ccc(C#N)cc1F.
What is the InChIKey of 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile?
The InChIKey is CNLDJPRZJYYHID-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1.
What are the key properties of 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile?
4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile has a molecular weight of 377.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[3-(2-cyclopropylimidazol-1-yl)phenoxy]propan-2-yl]oxy-3-fluorobenzonitrile is sourced from PubChem (CID 138471422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).