2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate

C19H22F2N2O3 — CID 24753359

IUPAC2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
SMILESCc1nccn1CCOC(=O)[C@](O)(c1ccccc1)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C19H22F2N2O3/c1-14-22-9-10-23(14)11-12-26-17(24)19(25,15-5-3-2-4-6-15)16-7-8-18(20,21)13-16/h2-6,9-10,16,25H,7-8,11-13H2,1H3/t16-,19-/m0/s1
InChIKeyISKRJHDYKFOIOB-LPHOPBHVSA-N
MW364.39 g/mol
LogP3.06
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate

2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate (PubChem CID 24753359) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
PubChem CID24753359
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
SMILESCc1nccn1CCOC(=O)[C@](O)(c1ccccc1)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C19H22F2N2O3/c1-14-22-9-10-23(14)11-12-26-17(24)19(25,15-5-3-2-4-6-15)16-7-8-18(20,21)13-16/h2-6,9-10,16,25H,7-8,11-13H2,1H3/t16-,19-/m0/s1
InChIKeyISKRJHDYKFOIOB-LPHOPBHVSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate with MolForge

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Related Compounds

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 (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 (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 56675810
2-(2-methylimidazol-1-yl)ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 56682422
[1-Methyl-1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate;2,2,2-trifluoroacetate
CID 10008228
2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
CID 16220187
(2R)-2-(3,3-difluorocyclopentyl)-2-hydroxy-N-[3-(2-methylimidazol-1-yl)propyl]-2-phenylacetamide
CID 24753008
3-(2-methylimidazol-1-yl)propyl (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
CID 24753355
2-(3-benzyl-2-propan-2-ylimidazol-3-ium-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate;bromide
CID 24753450
2-(3-benzyl-2-propan-2-ylimidazol-3-ium-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
CID 24753451

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate?
The IUPAC name of 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate (CID 24753359) is 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate?
The canonical SMILES for 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate is Cc1nccn1CCOC(=O)[C@](O)(c1ccccc1)[C@H]1CCC(F)(F)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate?
The InChIKey is ISKRJHDYKFOIOB-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-14-22-9-10-23(14)11-12-26-17(24)19(25,15-5-3-2-4-6-15)16-7-8-18(20,21)13-16/h2-6,9-10,16,25H,7-8,11-13H2,1H3/t16-,19-/m0/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate?
2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate has a molecular weight of 364.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)ethyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 24753359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).