4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile

C18H14N4O3 — CID 129398781

IUPAC4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
SMILESC[C@]1(c2cccnc2)NC(=O)N(CC(=O)c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H14N4O3/c1-18(14-3-2-8-20-10-14)16(24)22(17(25)21-18)11-15(23)13-6-4-12(9-19)5-7-13/h2-8,10H,11H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyJLXOAVKQVBMJFH-GOSISDBHSA-N
MW334.34 g/mol
LogP1.60
Rot. Bonds4

About 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile

4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile (PubChem CID 129398781) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
PubChem CID129398781
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
SMILESC[C@]1(c2cccnc2)NC(=O)N(CC(=O)c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H14N4O3/c1-18(14-3-2-8-20-10-14)16(24)22(17(25)21-18)11-15(23)13-6-4-12(9-19)5-7-13/h2-8,10H,11H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyJLXOAVKQVBMJFH-GOSISDBHSA-N
XLogP1.60
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-methyl-2,5-dioxo-1-(2-oxo-2-pyridin-4-ylethyl)imidazolidin-4-yl]benzonitrile
CID 155555500
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 25479689
4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47056816
5-chloro-2-[[(4S)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]methyl]benzonitrile
CID 124617988
4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155535854
3-[(4S)-1-(2-bromoprop-2-enyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 95339475
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
3-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47092888
N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
CID 40764733
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-(3-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 55752375
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile?
The IUPAC name of 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile (CID 129398781) is 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile is C[C@]1(c2cccnc2)NC(=O)N(CC(=O)c2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile?
The InChIKey is JLXOAVKQVBMJFH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-18(14-3-2-8-20-10-14)16(24)22(17(25)21-18)11-15(23)13-6-4-12(9-19)5-7-13/h2-8,10H,11H2,1H3,(H,21,25)/t18-/m1/s1.
What are the key properties of 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile?
4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile has a molecular weight of 334.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile is sourced from PubChem (CID 129398781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).