2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile

C12H9Cl2N3O2 — CID 2691204

IUPAC2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C12H9Cl2N3O2/c1-12(8-3-2-7(13)6-9(8)14)10(18)17(5-4-15)11(19)16-12/h2-3,6H,5H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyVDNMRIVUYKBWON-GFCCVEGCSA-N
MW298.13 g/mol
LogP2.28
Rot. Bonds2

About 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile

2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile (PubChem CID 2691204) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
PubChem CID2691204
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C12H9Cl2N3O2/c1-12(8-3-2-7(13)6-9(8)14)10(18)17(5-4-15)11(19)16-12/h2-3,6H,5H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyVDNMRIVUYKBWON-GFCCVEGCSA-N
XLogP2.28
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile 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

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691195
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7626269
5-(2,4-dichlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24621736
(5S)-5-(2,4-dichlorophenyl)-3-(3-methoxy-3-methyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 124872753
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 46583164
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile (CID 2691204) is 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile is C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC#N)C1=O.
What is the InChIKey of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The InChIKey is VDNMRIVUYKBWON-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-12(8-3-2-7(13)6-9(8)14)10(18)17(5-4-15)11(19)16-12/h2-3,6H,5H2,1H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile has a molecular weight of 298.13 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 2691204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).