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

C20H24N2O2 — CID 59456863

IUPAC1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one
SMILESCCCCc1ccc(N2CCN(c3ccc(CO)cc3)C2=O)cc1
InChIInChI=1S/C20H24N2O2/c1-2-3-4-16-5-9-18(10-6-16)21-13-14-22(20(21)24)19-11-7-17(15-23)8-12-19/h5-12,23H,2-4,13-15H2,1H3
InChIKeyUSEYKQLDYOTBGT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.97
Rot. Bonds6

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

1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one (PubChem CID 59456863) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one
PubChem CID59456863
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one
SMILESCCCCc1ccc(N2CCN(c3ccc(CO)cc3)C2=O)cc1
InChIInChI=1S/C20H24N2O2/c1-2-3-4-16-5-9-18(10-6-16)21-13-14-22(20(21)24)19-11-7-17(15-23)8-12-19/h5-12,23H,2-4,13-15H2,1H3
InChIKeyUSEYKQLDYOTBGT-UHFFFAOYSA-N
XLogP3.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one (CID 59456863) is 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one is CCCCc1ccc(N2CCN(c3ccc(CO)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one?
The InChIKey is USEYKQLDYOTBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-4-16-5-9-18(10-6-16)21-13-14-22(20(21)24)19-11-7-17(15-23)8-12-19/h5-12,23H,2-4,13-15H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one?
1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 59456863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).