2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide

C16H16ClN5O3 — CID 124860659

IUPAC2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1
InChIInChI=1S/C16H16ClN5O3/c1-21-7-6-13(20-21)19-14(23)8-12-15(24)22(16(25)18-12)9-10-4-2-3-5-11(10)17/h2-7,12H,8-9H2,1H3,(H,18,25)(H,19,20,23)/t12-/m1/s1
InChIKeyDBNNUPOGSAEHAU-GFCCVEGCSA-N
MW361.79 g/mol
LogP1.52
Rot. Bonds5

About 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 124860659) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID124860659
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1
InChIInChI=1S/C16H16ClN5O3/c1-21-7-6-13(20-21)19-14(23)8-12-15(24)22(16(25)18-12)9-10-4-2-3-5-11(10)17/h2-7,12H,8-9H2,1H3,(H,18,25)(H,19,20,23)/t12-/m1/s1
InChIKeyDBNNUPOGSAEHAU-GFCCVEGCSA-N
XLogP1.52
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 124862588
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 91639108
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91821777
3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide
CID 124862866
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 91641162
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91823037
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 91823359
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 91638899
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
2-[1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 75531804
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
CID 75490651

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 124860659) is 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1.
What is the InChIKey of 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is DBNNUPOGSAEHAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-21-7-6-13(20-21)19-14(23)8-12-15(24)22(16(25)18-12)9-10-4-2-3-5-11(10)17/h2-7,12H,8-9H2,1H3,(H,18,25)(H,19,20,23)/t12-/m1/s1.
What are the key properties of 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 361.79 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 124860659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).