3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one

C23H30N2O3 — CID 90762009

IUPAC3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one
SMILESCCCCN1C(=O)C(Cc2ccc(O)cc2)N(Cc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C23H30N2O3/c1-4-5-14-24-22(28)21(15-17-6-10-19(26)11-7-17)25(23(24,2)3)16-18-8-12-20(27)13-9-18/h6-13,21,26-27H,4-5,14-16H2,1-3H3
InChIKeyZEKCGPMMAKWXJW-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.89
Rot. Bonds7

About 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one

3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one (PubChem CID 90762009) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one
PubChem CID90762009
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one
SMILESCCCCN1C(=O)C(Cc2ccc(O)cc2)N(Cc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C23H30N2O3/c1-4-5-14-24-22(28)21(15-17-6-10-19(26)11-7-17)25(23(24,2)3)16-18-8-12-20(27)13-9-18/h6-13,21,26-27H,4-5,14-16H2,1-3H3
InChIKeyZEKCGPMMAKWXJW-UHFFFAOYSA-N
XLogP3.89
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one (CID 90762009) is 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one is CCCCN1C(=O)C(Cc2ccc(O)cc2)N(Cc2ccc(O)cc2)C1(C)C.
What is the InChIKey of 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one?
The InChIKey is ZEKCGPMMAKWXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-5-14-24-22(28)21(15-17-6-10-19(26)11-7-17)25(23(24,2)3)16-18-8-12-20(27)13-9-18/h6-13,21,26-27H,4-5,14-16H2,1-3H3.
What are the key properties of 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one?
3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one has a molecular weight of 382.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 90762009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).