N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide

C23H22N4O3 — CID 40972041

IUPACN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(-n3cccc3)c2)C1=O
InChIInChI=1S/C23H22N4O3/c1-23(13-12-17-8-3-2-4-9-17)21(29)27(22(30)24-23)25-20(28)18-10-7-11-19(16-18)26-14-5-6-15-26/h2-11,14-16H,12-13H2,1H3,(H,24,30)(H,25,28)/t23-/m1/s1
InChIKeyYBJITXWRMBKSIC-HSZRJFAPSA-N
MW402.45 g/mol
LogP3.07
Rot. Bonds6

About N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide (PubChem CID 40972041) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
PubChem CID40972041
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(-n3cccc3)c2)C1=O
InChIInChI=1S/C23H22N4O3/c1-23(13-12-17-8-3-2-4-9-17)21(29)27(22(30)24-23)25-20(28)18-10-7-11-19(16-18)26-14-5-6-15-26/h2-11,14-16H,12-13H2,1H3,(H,24,30)(H,25,28)/t23-/m1/s1
InChIKeyYBJITXWRMBKSIC-HSZRJFAPSA-N
XLogP3.07
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 46655208
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 46411069
2,3-dimethyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indole-5-carboxamide
CID 31341167
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 51935433
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
CID 42920191
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 40897872
4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 55440908

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide (CID 40972041) is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(-n3cccc3)c2)C1=O.
What is the InChIKey of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide?
The InChIKey is YBJITXWRMBKSIC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-23(13-12-17-8-3-2-4-9-17)21(29)27(22(30)24-23)25-20(28)18-10-7-11-19(16-18)26-14-5-6-15-26/h2-11,14-16H,12-13H2,1H3,(H,24,30)(H,25,28)/t23-/m1/s1.
What are the key properties of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide?
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 40972041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).