5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H26N4O2 — CID 45181974

IUPAC5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(C2CCN(Cc3ccc4ncccc4c3)CC2)N1
InChIInChI=1S/C25H26N4O2/c30-23-25(28-24(31)27-23,16-18-5-2-1-3-6-18)21-10-13-29(14-11-21)17-19-8-9-22-20(15-19)7-4-12-26-22/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,27,28,30,31)
InChIKeyCWORMCUXWPPSQT-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.27
Rot. Bonds5

About 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45181974) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45181974
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(C2CCN(Cc3ccc4ncccc4c3)CC2)N1
InChIInChI=1S/C25H26N4O2/c30-23-25(28-24(31)27-23,16-18-5-2-1-3-6-18)21-10-13-29(14-11-21)17-19-8-9-22-20(15-19)7-4-12-26-22/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,27,28,30,31)
InChIKeyCWORMCUXWPPSQT-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42170913
(5S)-5-benzyl-5-[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42465361
(5R)-5-benzyl-5-[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42465353
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56718903
5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45186410
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45181974) is 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2)(C2CCN(Cc3ccc4ncccc4c3)CC2)N1.
What is the InChIKey of 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is CWORMCUXWPPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-23-25(28-24(31)27-23,16-18-5-2-1-3-6-18)21-10-13-29(14-11-21)17-19-8-9-22-20(15-19)7-4-12-26-22/h1-9,12,15,21H,10-11,13-14,16-17H2,(H2,27,28,30,31).
What are the key properties of 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 414.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45181974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).