1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one

C21H17F2N3O — CID 140829121

IUPAC1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
SMILESO=C1N(Cc2cccc(F)c2)CCN1c1ccc(-c2ccnc(F)c2)cc1
InChIInChI=1S/C21H17F2N3O/c22-18-3-1-2-15(12-18)14-25-10-11-26(21(25)27)19-6-4-16(5-7-19)17-8-9-24-20(23)13-17/h1-9,12-13H,10-11,14H2
InChIKeyWQIDVGDWQVGKSN-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.47
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one

1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one (PubChem CID 140829121) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
PubChem CID140829121
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
SMILESO=C1N(Cc2cccc(F)c2)CCN1c1ccc(-c2ccnc(F)c2)cc1
InChIInChI=1S/C21H17F2N3O/c22-18-3-1-2-15(12-18)14-25-10-11-26(21(25)27)19-6-4-16(5-7-19)17-8-9-24-20(23)13-17/h1-9,12-13H,10-11,14H2
InChIKeyWQIDVGDWQVGKSN-UHFFFAOYSA-N
XLogP4.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one (CID 140829121) is 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one is O=C1N(Cc2cccc(F)c2)CCN1c1ccc(-c2ccnc(F)c2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one?
The InChIKey is WQIDVGDWQVGKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-18-3-1-2-15(12-18)14-25-10-11-26(21(25)27)19-6-4-16(5-7-19)17-8-9-24-20(23)13-17/h1-9,12-13H,10-11,14H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one?
1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one has a molecular weight of 365.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 140829121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).