1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

C15H18FN3O3 — CID 128988563

IUPAC1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1
InChIInChI=1S/C15H18FN3O3/c16-11-7-13(9-20)19(8-11)14(21)10-1-3-12(4-2-10)18-6-5-17-15(18)22/h1-4,11,13,20H,5-9H2,(H,17,22)/t11-,13-/m0/s1
InChIKeyJKWAPRMPCKQHAZ-AAEUAGOBSA-N
MW307.33 g/mol
LogP0.76
Rot. Bonds3

About 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 128988563) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID128988563
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1
InChIInChI=1S/C15H18FN3O3/c16-11-7-13(9-20)19(8-11)14(21)10-1-3-12(4-2-10)18-6-5-17-15(18)22/h1-4,11,13,20H,5-9H2,(H,17,22)/t11-,13-/m0/s1
InChIKeyJKWAPRMPCKQHAZ-AAEUAGOBSA-N
XLogP0.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]-1H-imidazol-2-one
CID 138045693
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 128988217
6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 128988420
2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210102
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 128988547
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 128988229
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128988324
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
CID 128988278
(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125133029
1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
CID 136543686
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 128988563) is 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1.
What is the InChIKey of 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is JKWAPRMPCKQHAZ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-11-7-13(9-20)19(8-11)14(21)10-1-3-12(4-2-10)18-6-5-17-15(18)22/h1-4,11,13,20H,5-9H2,(H,17,22)/t11-,13-/m0/s1.
What are the key properties of 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 307.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 128988563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).