1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one

C21H23F2N3O — CID 174347230

IUPAC1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1N(c2ccc(F)cc2)CCN1[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H23F2N3O/c22-17-7-9-18(10-8-17)25-12-13-26(21(25)27)19-5-3-11-24(15-19)14-16-4-1-2-6-20(16)23/h1-2,4,6-10,19H,3,5,11-15H2/t19-/m1/s1
InChIKeyXOJQUJOFCULXFR-LJQANCHMSA-N
MW371.43 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one

1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 174347230) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID174347230
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1N(c2ccc(F)cc2)CCN1[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H23F2N3O/c22-17-7-9-18(10-8-17)25-12-13-26(21(25)27)19-5-3-11-24(15-19)14-16-4-1-2-6-20(16)23/h1-2,4,6-10,19H,3,5,11-15H2/t19-/m1/s1
InChIKeyXOJQUJOFCULXFR-LJQANCHMSA-N
XLogP3.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one (CID 174347230) is 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one is O=C1N(c2ccc(F)cc2)CCN1[C@@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is XOJQUJOFCULXFR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23F2N3O/c22-17-7-9-18(10-8-17)25-12-13-26(21(25)27)19-5-3-11-24(15-19)14-16-4-1-2-6-20(16)23/h1-2,4,6-10,19H,3,5,11-15H2/t19-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one?
1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 371.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 174347230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).