1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one

C17H18FN3O3 — CID 136562645

IUPAC1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1cc(F)cc2ccoc12)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C17H18FN3O3/c18-12-9-11-3-8-24-15(11)14(10-12)16(22)20-5-1-13(2-6-20)21-7-4-19-17(21)23/h3,8-10,13H,1-2,4-7H2,(H,19,23)
InChIKeyFJXHDWZWVIXVIV-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.20
Rot. Bonds2

About 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 136562645) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID136562645
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1cc(F)cc2ccoc12)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C17H18FN3O3/c18-12-9-11-3-8-24-15(11)14(10-12)16(22)20-5-1-13(2-6-20)21-7-4-19-17(21)23/h3,8-10,13H,1-2,4-7H2,(H,19,23)
InChIKeyFJXHDWZWVIXVIV-UHFFFAOYSA-N
XLogP2.20
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139011962
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
1-[1-(4-fluorophenyl)piperidin-4-yl]imidazolidin-2-one
CID 68820432
1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61062075
1-[1-(2,4-dimethylquinoline-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136545654
1-[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 62787379
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 114328233
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628072
1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 136562645) is 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one is O=C(c1cc(F)cc2ccoc12)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is FJXHDWZWVIXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-9-11-3-8-24-15(11)14(10-12)16(22)20-5-1-13(2-6-20)21-7-4-19-17(21)23/h3,8-10,13H,1-2,4-7H2,(H,19,23).
What are the key properties of 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 331.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 136562645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).