N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide

C21H19N5O4 — CID 9265772

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3nnco3)cc2)C1=O
InChIInChI=1S/C21H19N5O4/c1-21(12-11-14-5-3-2-4-6-14)19(28)26(20(29)23-21)25-17(27)15-7-9-16(10-8-15)18-24-22-13-30-18/h2-10,13H,11-12H2,1H3,(H,23,29)(H,25,27)/t21-/m0/s1
InChIKeyLXSKSLBVWUNQBP-NRFANRHFSA-N
MW405.41 g/mol
LogP2.32
Rot. Bonds6

About N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 9265772) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID9265772
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3nnco3)cc2)C1=O
InChIInChI=1S/C21H19N5O4/c1-21(12-11-14-5-3-2-4-6-14)19(28)26(20(29)23-21)25-17(27)15-7-9-16(10-8-15)18-24-22-13-30-18/h2-10,13H,11-12H2,1H3,(H,23,29)(H,25,27)/t21-/m0/s1
InChIKeyLXSKSLBVWUNQBP-NRFANRHFSA-N
XLogP2.32
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 51935433
4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 55440908
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 40953027
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 40897872
3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 46655208
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 9265772) is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3nnco3)cc2)C1=O.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LXSKSLBVWUNQBP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-21(12-11-14-5-3-2-4-6-14)19(28)26(20(29)23-21)25-17(27)15-7-9-16(10-8-15)18-24-22-13-30-18/h2-10,13H,11-12H2,1H3,(H,23,29)(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 405.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 9265772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).