5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione

C22H33N3O2 — CID 45183704

IUPAC5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCc1ccc(C)c(CN2CCC(C3(CCC(C)C)NC(=O)NC3=O)CC2)c1
InChIInChI=1S/C22H33N3O2/c1-15(2)7-10-22(20(26)23-21(27)24-22)19-8-11-25(12-9-19)14-18-13-16(3)5-6-17(18)4/h5-6,13,15,19H,7-12,14H2,1-4H3,(H2,23,24,26,27)
InChIKeyMZRVSEQWAFMJLO-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.53
Rot. Bonds6

About 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione

5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 45183704) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID45183704
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCc1ccc(C)c(CN2CCC(C3(CCC(C)C)NC(=O)NC3=O)CC2)c1
InChIInChI=1S/C22H33N3O2/c1-15(2)7-10-22(20(26)23-21(27)24-22)19-8-11-25(12-9-19)14-18-13-16(3)5-6-17(18)4/h5-6,13,15,19H,7-12,14H2,1-4H3,(H2,23,24,26,27)
InChIKeyMZRVSEQWAFMJLO-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42343993
5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45171600
5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45171162
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
(5S)-5-[1-[(2-hydroxy-5-methylphenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95213369
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884536
(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42274862
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 45183704) is 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione is Cc1ccc(C)c(CN2CCC(C3(CCC(C)C)NC(=O)NC3=O)CC2)c1.
What is the InChIKey of 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is MZRVSEQWAFMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15(2)7-10-22(20(26)23-21(27)24-22)19-8-11-25(12-9-19)14-18-13-16(3)5-6-17(18)4/h5-6,13,15,19H,7-12,14H2,1-4H3,(H2,23,24,26,27).
What are the key properties of 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 371.53 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45183704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).