2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

C24H32ClN3O3 — CID 26918173

IUPAC2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O
InChIInChI=1S/C24H32ClN3O3/c1-24(19-14-8-9-15-20(19)25)22(30)27(23(31)26-24)16-21(29)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,26,31)/t24-/m0/s1
InChIKeyCBDBCENRZFJGFL-DEOSSOPVSA-N
MW445.99 g/mol
LogP4.60
Rot. Bonds5

About 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide (PubChem CID 26918173) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
PubChem CID26918173
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O
InChIInChI=1S/C24H32ClN3O3/c1-24(19-14-8-9-15-20(19)25)22(30)27(23(31)26-24)16-21(29)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,26,31)/t24-/m0/s1
InChIKeyCBDBCENRZFJGFL-DEOSSOPVSA-N
XLogP4.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.60
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

2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972934
(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26716014
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 41100880
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 4797085
N-cyclopentyl-N-cyclopropyl-2-[4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 87019809
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7242931
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7886387
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide (CID 26918173) is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The InChIKey is CBDBCENRZFJGFL-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-24(19-14-8-9-15-20(19)25)22(30)27(23(31)26-24)16-21(29)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,26,31)/t24-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide has a molecular weight of 445.99 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide is sourced from PubChem (CID 26918173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).