4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

C18H14ClN3O2 — CID 42964355

IUPAC4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCC1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H14ClN3O2/c1-18(14-7-5-12(10-20)6-8-14)16(23)22(17(24)21-18)11-13-3-2-4-15(19)9-13/h2-9H,11H2,1H3,(H,21,24)
InChIKeyUHHOVNKDLNHKHV-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.18
Rot. Bonds3

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

4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 42964355) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID42964355
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCC1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H14ClN3O2/c1-18(14-7-5-12(10-20)6-8-14)16(23)22(17(24)21-18)11-13-3-2-4-15(19)9-13/h2-9H,11H2,1H3,(H,21,24)
InChIKeyUHHOVNKDLNHKHV-UHFFFAOYSA-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

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
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 8762131
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 42964355) is 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is CC1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is UHHOVNKDLNHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-18(14-7-5-12(10-20)6-8-14)16(23)22(17(24)21-18)11-13-3-2-4-15(19)9-13/h2-9H,11H2,1H3,(H,21,24).
What are the key properties of 4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
4-[1-[(3-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-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 42964355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).