4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

C16H19N3O2 — CID 82148686

IUPAC4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
SMILESCC(C)(C)C1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C16H19N3O2/c1-15(2,3)16(4)13(20)19(14(21)18-16)10-12-7-5-11(9-17)6-8-12/h5-8H,10H2,1-4H3,(H,18,21)
InChIKeyMNPDHRLAEMKDIJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.41
Rot. Bonds2

About 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile (PubChem CID 82148686) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
PubChem CID82148686
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
SMILESCC(C)(C)C1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C16H19N3O2/c1-15(2,3)16(4)13(20)19(14(21)18-16)10-12-7-5-11(9-17)6-8-12/h5-8H,10H2,1-4H3,(H,18,21)
InChIKeyMNPDHRLAEMKDIJ-UHFFFAOYSA-N
XLogP2.41
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
4-[[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2089145
4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 2081807
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
4-[[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2121699
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
CID 3936185
4-[[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 8659248
4-[[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7692013
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
3-[(4-cyanophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 156564776
4-[[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzonitrile
CID 8672971

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile (CID 82148686) is 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile is CC(C)(C)C1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
The InChIKey is MNPDHRLAEMKDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-15(2,3)16(4)13(20)19(14(21)18-16)10-12-7-5-11(9-17)6-8-12/h5-8H,10H2,1-4H3,(H,18,21).
What are the key properties of 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile has a molecular weight of 285.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 82148686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).