N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H20N4O3 — CID 7884244

IUPACN-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C22H20N4O3/c1-22(17-10-9-14-6-4-7-15(14)11-17)20(28)26(21(29)25-22)13-19(27)24-18-8-3-2-5-16(18)12-23/h2-3,5,8-11H,4,6-7,13H2,1H3,(H,24,27)(H,25,29)/t22-/m0/s1
InChIKeyRNDOBWUUYGIHNE-QFIPXVFZSA-N
MW388.43 g/mol
LogP2.45
Rot. Bonds4

About N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7884244) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7884244
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C22H20N4O3/c1-22(17-10-9-14-6-4-7-15(14)11-17)20(28)26(21(29)25-22)13-19(27)24-18-8-3-2-5-16(18)12-23/h2-3,5,8-11H,4,6-7,13H2,1H3,(H,24,27)(H,25,29)/t22-/m0/s1
InChIKeyRNDOBWUUYGIHNE-QFIPXVFZSA-N
XLogP2.45
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.45
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

2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 2702037
N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962315
2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55481314
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 7884293
N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8760806
N-(2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583832
N-(2-chloro-4-fluorophenyl)-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884281
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7988380
3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55524024
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884022
N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4537106
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 25479689

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7884244) is N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RNDOBWUUYGIHNE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-22(17-10-9-14-6-4-7-15(14)11-17)20(28)26(21(29)25-22)13-19(27)24-18-8-3-2-5-16(18)12-23/h2-3,5,8-11H,4,6-7,13H2,1H3,(H,24,27)(H,25,29)/t22-/m0/s1.
What are the key properties of N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7884244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).