4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

C18H14ClN3O2 — CID 8762131

IUPAC4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESC[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C18H14ClN3O2/c1-18(14-8-6-12(10-20)7-9-14)16(23)22(17(24)21-18)11-13-4-2-3-5-15(13)19/h2-9H,11H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyOVNKAFHGVSSDBM-GOSISDBHSA-N
MW339.78 g/mol
LogP3.18
Rot. Bonds3

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

4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 8762131) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID8762131
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESC[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C18H14ClN3O2/c1-18(14-8-6-12(10-20)7-9-14)16(23)22(17(24)21-18)11-13-4-2-3-5-15(13)19/h2-9H,11H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyOVNKAFHGVSSDBM-GOSISDBHSA-N
XLogP3.18
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.18
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

(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
4-[[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2089145
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
4-[(4R)-1-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 97021807
5-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3689298
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
4-[(4R)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 93250967
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
(5S)-3-[(2-chlorophenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8001244
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-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 8762131) is 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is OVNKAFHGVSSDBM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-18(14-8-6-12(10-20)7-9-14)16(23)22(17(24)21-18)11-13-4-2-3-5-15(13)19/h2-9H,11H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 339.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 8762131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).