5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one

C23H20FN3O — CID 11326260

IUPAC5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1
InChIInChI=1S/C23H20FN3O/c24-20-10-8-18(9-11-20)21-22(19-12-14-25-15-13-19)27(23(28)26-21)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15H,4,7,16H2,(H,26,28)
InChIKeyZRTMRRQJHASYPY-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.68
Rot. Bonds6

About 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one

5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one (PubChem CID 11326260) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one
PubChem CID11326260
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1
InChIInChI=1S/C23H20FN3O/c24-20-10-8-18(9-11-20)21-22(19-12-14-25-15-13-19)27(23(28)26-21)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15H,4,7,16H2,(H,26,28)
InChIKeyZRTMRRQJHASYPY-UHFFFAOYSA-N
XLogP4.68
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one (CID 11326260) is 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one is O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one?
The InChIKey is ZRTMRRQJHASYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-20-10-8-18(9-11-20)21-22(19-12-14-25-15-13-19)27(23(28)26-21)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15H,4,7,16H2,(H,26,28).
What are the key properties of 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one?
5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one has a molecular weight of 373.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 11326260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).