2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate

C20H19FN2O2 — CID 69403938

IUPAC2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
SMILESC[C@@H](C(=O)OCCc1ncc[nH]1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H19FN2O2/c1-14(20(24)25-12-9-19-22-10-11-23-19)16-7-8-17(18(21)13-16)15-5-3-2-4-6-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyAJFCPUCIOSSWBO-CQSZACIVSA-N
MW338.38 g/mol
LogP4.11
Rot. Bonds6

About 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate

2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 69403938) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID69403938
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
SMILESC[C@@H](C(=O)OCCc1ncc[nH]1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H19FN2O2/c1-14(20(24)25-12-9-19-22-10-11-23-19)16-7-8-17(18(21)13-16)15-5-3-2-4-6-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyAJFCPUCIOSSWBO-CQSZACIVSA-N
XLogP4.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[2-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]ethyl]phenyl]-2-methylpropanoate
CID 155519753
2-(2-methylimidazol-1-yl)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 56658568
2-(2-methylimidazol-1-yl)ethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 56658580
2-imidazol-1-ylethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 56662023
2-imidazol-1-ylethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 56662024
2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 56672425
2-imidazol-1-ylethyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 56672426
2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 56675810
2-(2-methylimidazol-1-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 56682422
ethyl 1-(1H-imidazol-2-ylmethyl)-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 26402300
ethyl 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 28230484
4-[(E)-3-(imidazol-2-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoic acid
CID 18399524

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate (CID 69403938) is 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate is C[C@@H](C(=O)OCCc1ncc[nH]1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is AJFCPUCIOSSWBO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-14(20(24)25-12-9-19-22-10-11-23-19)16-7-8-17(18(21)13-16)15-5-3-2-4-6-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate?
2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 338.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 69403938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).