2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate

C20H19FN2O2 — CID 56672426

IUPAC2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
SMILESC[C@H](C(=O)OCCn1ccnc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H19FN2O2/c1-15(20(24)25-12-11-23-10-9-22-14-23)17-7-8-18(19(21)13-17)16-5-3-2-4-6-16/h2-10,13-15H,11-12H2,1H3/t15-/m0/s1
InChIKeyORDBHILBCJYXSV-HNNXBMFYSA-N
MW338.38 g/mol
LogP4.04
Rot. Bonds6

About 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate

2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 56672426) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID56672426
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
SMILESC[C@H](C(=O)OCCn1ccnc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H19FN2O2/c1-15(20(24)25-12-11-23-10-9-22-14-23)17-7-8-18(19(21)13-17)16-5-3-2-4-6-16/h2-10,13-15H,11-12H2,1H3/t15-/m0/s1
InChIKeyORDBHILBCJYXSV-HNNXBMFYSA-N
XLogP4.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate (CID 56672426) is 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate is C[C@H](C(=O)OCCn1ccnc1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is ORDBHILBCJYXSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-15(20(24)25-12-11-23-10-9-22-14-23)17-7-8-18(19(21)13-17)16-5-3-2-4-6-16/h2-10,13-15H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate?
2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 338.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 56672426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).