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

C22H25FN2O2 — CID 59456835

IUPAC1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2cccc(C3CCCCC3)c2)CCN1c1ccc(CO)cc1F
InChIInChI=1S/C22H25FN2O2/c23-20-13-16(15-26)9-10-21(20)25-12-11-24(22(25)27)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h4,7-10,13-14,17,26H,1-3,5-6,11-12,15H2
InChIKeyVGWLJGHHQNGPHI-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.81
Rot. Bonds4

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

1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one (PubChem CID 59456835) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one
PubChem CID59456835
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2cccc(C3CCCCC3)c2)CCN1c1ccc(CO)cc1F
InChIInChI=1S/C22H25FN2O2/c23-20-13-16(15-26)9-10-21(20)25-12-11-24(22(25)27)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h4,7-10,13-14,17,26H,1-3,5-6,11-12,15H2
InChIKeyVGWLJGHHQNGPHI-UHFFFAOYSA-N
XLogP4.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one (CID 59456835) is 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one is O=C1N(c2cccc(C3CCCCC3)c2)CCN1c1ccc(CO)cc1F.
What is the InChIKey of 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The InChIKey is VGWLJGHHQNGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-13-16(15-26)9-10-21(20)25-12-11-24(22(25)27)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h4,7-10,13-14,17,26H,1-3,5-6,11-12,15H2.
What are the key properties of 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one?
1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one has a molecular weight of 368.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylphenyl)-3-[2-fluoro-4-(hydroxymethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 59456835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).