4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

C18H16N4O3 — CID 97021807

IUPAC4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCOc1ncccc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H16N4O3/c1-18(14-7-5-12(10-19)6-8-14)16(23)22(17(24)21-18)11-13-4-3-9-20-15(13)25-2/h3-9H,11H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyXOZQMKHWKNUKEZ-GOSISDBHSA-N
MW336.35 g/mol
LogP1.93
Rot. Bonds4

About 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 97021807) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID97021807
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCOc1ncccc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H16N4O3/c1-18(14-7-5-12(10-19)6-8-14)16(23)22(17(24)21-18)11-13-4-3-9-20-15(13)25-2/h3-9H,11H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyXOZQMKHWKNUKEZ-GOSISDBHSA-N
XLogP1.93
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.93
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-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 8762131
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
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-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
4-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 45281262
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
4-[4-methyl-2,5-dioxo-1-(2-oxo-2-pyridin-4-ylethyl)imidazolidin-4-yl]benzonitrile
CID 155555500
4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 40918365
4-[1-(3-cyanopropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 78789441
2-[[(4R)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94799539

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 97021807) is 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is COc1ncccc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is XOZQMKHWKNUKEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-18(14-7-5-12(10-19)6-8-14)16(23)22(17(24)21-18)11-13-4-3-9-20-15(13)25-2/h3-9H,11H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 336.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 97021807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).