1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one

C23H21FN2O2 — CID 59456851

IUPAC1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2cccc(Cc3ccccc3)c2)CCN1c1ccc(CO)cc1F
InChIInChI=1S/C23H21FN2O2/c24-21-15-19(16-27)9-10-22(21)26-12-11-25(23(26)28)20-8-4-7-18(14-20)13-17-5-2-1-3-6-17/h1-10,14-15,27H,11-13,16H2
InChIKeyMIBKFRFQBLWUBU-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one

1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one (PubChem CID 59456851) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one
PubChem CID59456851
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2cccc(Cc3ccccc3)c2)CCN1c1ccc(CO)cc1F
InChIInChI=1S/C23H21FN2O2/c24-21-15-19(16-27)9-10-22(21)26-12-11-25(23(26)28)20-8-4-7-18(14-20)13-17-5-2-1-3-6-17/h1-10,14-15,27H,11-13,16H2
InChIKeyMIBKFRFQBLWUBU-UHFFFAOYSA-N
XLogP4.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one (CID 59456851) is 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one is O=C1N(c2cccc(Cc3ccccc3)c2)CCN1c1ccc(CO)cc1F.
What is the InChIKey of 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The InChIKey is MIBKFRFQBLWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-21-15-19(16-27)9-10-22(21)26-12-11-25(23(26)28)20-8-4-7-18(14-20)13-17-5-2-1-3-6-17/h1-10,14-15,27H,11-13,16H2.
What are the key properties of 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one has a molecular weight of 376.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 59456851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).