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

C18H21N3O2 — CID 7618742

IUPAC3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESC[C@]1(C2CCCCC2)NC(=O)N(Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C18H21N3O2/c1-18(15-8-3-2-4-9-15)16(22)21(17(23)20-18)12-14-7-5-6-13(10-14)11-19/h5-7,10,15H,2-4,8-9,12H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyZNSNNMZHBICJQL-GOSISDBHSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds3

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

3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 7618742) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
PubChem CID7618742
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESC[C@]1(C2CCCCC2)NC(=O)N(Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C18H21N3O2/c1-18(15-8-3-2-4-9-15)16(22)21(17(23)20-18)12-14-7-5-6-13(10-14)11-19/h5-7,10,15H,2-4,8-9,12H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyZNSNNMZHBICJQL-GOSISDBHSA-N
XLogP2.95
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 60619510
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
3-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 24693226
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083
3-[(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 62850026
3-[(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 82148682
3-[(3,3-dimethyl-2,6-dioxopiperazin-1-yl)methyl]benzonitrile
CID 66067693
3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 17486200
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (CID 7618742) is 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is C[C@]1(C2CCCCC2)NC(=O)N(Cc2cccc(C#N)c2)C1=O.
What is the InChIKey of 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is ZNSNNMZHBICJQL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(15-8-3-2-4-9-15)16(22)21(17(23)20-18)12-14-7-5-6-13(10-14)11-19/h5-7,10,15H,2-4,8-9,12H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 311.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 7618742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).