1-benzyl-5-dodecylimidazolidine-2,4-dione

C22H34N2O2 — CID 57096374

IUPAC1-benzyl-5-dodecylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCC1C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21(25)23-22(26)24(20)18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,23,25,26)
InChIKeyRYNNPKYENKNCOB-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.42
Rot. Bonds13

About 1-benzyl-5-dodecylimidazolidine-2,4-dione

1-benzyl-5-dodecylimidazolidine-2,4-dione (PubChem CID 57096374) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-benzyl-5-dodecylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-dodecylimidazolidine-2,4-dione
PubChem CID57096374
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-benzyl-5-dodecylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCC1C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21(25)23-22(26)24(20)18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,23,25,26)
InChIKeyRYNNPKYENKNCOB-UHFFFAOYSA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-pentylimidazolidin-2-one
CID 102031647
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
(3S,4R)-1-benzyl-4-(difluoromethyl)-3-octylazetidin-2-one
CID 10336322
(4R,5S)-3-benzyl-5-decyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 139935287
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
1-benzyl-4-butylpyrazolidine-3,5-dione
CID 21492858
6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
CID 69495401
7-[3-(3-hydroxy-4,4-dimethyl-5-phenylpentyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12773638
(4R,5S)-3-benzyl-5-[(1S)-1,2-dihydroxyethyl]-4-tetradecyl-1,3-oxazolidin-2-one
CID 56653265
2-benzyl-1-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 101495867
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3512324

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-dodecylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5-dodecylimidazolidine-2,4-dione (CID 57096374) is 1-benzyl-5-dodecylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-dodecylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-dodecylimidazolidine-2,4-dione is CCCCCCCCCCCCC1C(=O)NC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-dodecylimidazolidine-2,4-dione?
The InChIKey is RYNNPKYENKNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21(25)23-22(26)24(20)18-19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,23,25,26).
What are the key properties of 1-benzyl-5-dodecylimidazolidine-2,4-dione?
1-benzyl-5-dodecylimidazolidine-2,4-dione has a molecular weight of 358.53 g/mol, XLogP of 5.42, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-dodecylimidazolidine-2,4-dione is sourced from PubChem (CID 57096374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).