N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C24H21ClN4O3 — CID 60535988

IUPACN-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H21ClN4O3/c1-24(17-7-3-2-4-8-17)22(31)29(23(32)27-24)16-21(30)28(15-19-9-5-6-14-26-19)20-12-10-18(25)11-13-20/h2-14H,15-16H2,1H3,(H,27,32)
InChIKeyPPBIXLMZWFZBAO-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.74
Rot. Bonds6

About N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 60535988) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID60535988
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H21ClN4O3/c1-24(17-7-3-2-4-8-17)22(31)29(23(32)27-24)16-21(30)28(15-19-9-5-6-14-26-19)20-12-10-18(25)11-13-20/h2-14H,15-16H2,1H3,(H,27,32)
InChIKeyPPBIXLMZWFZBAO-UHFFFAOYSA-N
XLogP3.74
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55889863
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 2705880
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-(2-cyanoethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 46642421
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 86795432
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 8625100
ethyl 2-(N-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355319

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 60535988) is N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide is CC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PPBIXLMZWFZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-24(17-7-3-2-4-8-17)22(31)29(23(32)27-24)16-21(30)28(15-19-9-5-6-14-26-19)20-12-10-18(25)11-13-20/h2-14H,15-16H2,1H3,(H,27,32).
What are the key properties of N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 448.91 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 60535988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).