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

C22H26FN3O — CID 174303317

IUPAC1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1N(c2ccc(F)cc2)CCN1[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H26FN3O/c23-19-8-10-20(11-9-19)25-15-16-26(22(25)27)21-7-4-13-24(17-21)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2/t21-/m1/s1
InChIKeyZABJZFDRMIXNMM-OAQYLSRUSA-N
MW367.47 g/mol
LogP3.77
Rot. Bonds5

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

1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 174303317) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID174303317
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1N(c2ccc(F)cc2)CCN1[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H26FN3O/c23-19-8-10-20(11-9-19)25-15-16-26(22(25)27)21-7-4-13-24(17-21)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2/t21-/m1/s1
InChIKeyZABJZFDRMIXNMM-OAQYLSRUSA-N
XLogP3.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.77
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-phenylethyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one (CID 174303317) is 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one is O=C1N(c2ccc(F)cc2)CCN1[C@@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is ZABJZFDRMIXNMM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-8-10-20(11-9-19)25-15-16-26(22(25)27)21-7-4-13-24(17-21)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2/t21-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one?
1-(4-fluorophenyl)-3-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.77, 5 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-phenylethyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 174303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).