2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide

C26H28N4O3 — CID 43016293

IUPAC2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)C1(C#N)CCCCC1
InChIInChI=1S/C26H28N4O3/c1-29(25(19-27)15-9-4-10-16-25)22(31)18-30-23(32)26(28-24(30)33,21-13-7-3-8-14-21)17-20-11-5-2-6-12-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,28,33)
InChIKeyWHVRTPSVJLBGKL-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.36
Rot. Bonds6

About 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 43016293) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID43016293
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)C1(C#N)CCCCC1
InChIInChI=1S/C26H28N4O3/c1-29(25(19-27)15-9-4-10-16-25)22(31)18-30-23(32)26(28-24(30)33,21-13-7-3-8-14-21)17-20-11-5-2-6-12-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,28,33)
InChIKeyWHVRTPSVJLBGKL-UHFFFAOYSA-N
XLogP3.36
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51435462
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2667132
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
N-(1-cyanocyclohexyl)-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18100057
(5R)-5-benzyl-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7637584
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclohexylacetamide
CID 40617195
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41167520
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-ethylacetamide
CID 17414523
(5R)-5-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7240320
(5S)-5-benzyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300130
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 43016293) is 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)C1(C#N)CCCCC1.
What is the InChIKey of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is WHVRTPSVJLBGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-29(25(19-27)15-9-4-10-16-25)22(31)18-30-23(32)26(28-24(30)33,21-13-7-3-8-14-21)17-20-11-5-2-6-12-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,28,33).
What are the key properties of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 444.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 43016293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).