propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate

C19H24FN3O2 — CID 95783725

IUPACpropyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate
SMILESCCCOC(=O)[C@@H](C)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C19H24FN3O2/c1-3-11-25-19(24)13(2)23-10-6-9-17(23)18-21-12-16(22-18)14-7-4-5-8-15(14)20/h4-5,7-8,12-13,17H,3,6,9-11H2,1-2H3,(H,21,22)/t13-,17-/m1/s1
InChIKeyFPESAWGUSMMFFI-CXAGYDPISA-N
MW345.42 g/mol
LogP3.69
Rot. Bonds6

About propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate

propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate (PubChem CID 95783725) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namepropyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate
PubChem CID95783725
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Namepropyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate
SMILESCCCOC(=O)[C@@H](C)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C19H24FN3O2/c1-3-11-25-19(24)13(2)23-10-6-9-17(23)18-21-12-16(22-18)14-7-4-5-8-15(14)20/h4-5,7-8,12-13,17H,3,6,9-11H2,1-2H3,(H,21,22)/t13-,17-/m1/s1
InChIKeyFPESAWGUSMMFFI-CXAGYDPISA-N
XLogP3.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 56795192
[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 56794518
1-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-prop-2-enylsulfanylethanone
CID 95633410
(2R)-1-[(2R)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 95772014
2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine
CID 95635150
propyl N-[(2S)-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(propoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]carbamate
CID 118928248
methyl N-[2-[(2S)-2-[5-[3-(2-fluorophenyl)-4-methylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 145269727
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116883535
methyl N-[(2S)-1-[(2S)-2-[5-[2-fluoro-4-[3-fluoro-4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 118914897
(2S)-2-amino-1-[2-[5-[4-[4-[2-[1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 25229825
tert-butyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67517415
4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 54928276

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate?
The IUPAC name of propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate (CID 95783725) is propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate.
What is the SMILES notation for propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate?
The canonical SMILES for propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate is CCCOC(=O)[C@@H](C)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate?
The InChIKey is FPESAWGUSMMFFI-CXAGYDPISA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-11-25-19(24)13(2)23-10-6-9-17(23)18-21-12-16(22-18)14-7-4-5-8-15(14)20/h4-5,7-8,12-13,17H,3,6,9-11H2,1-2H3,(H,21,22)/t13-,17-/m1/s1.
What are the key properties of propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate?
propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate has a molecular weight of 345.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-[(2R)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 95783725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).