4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

C22H19N3O3 — CID 25479689

IUPAC4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESC[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C22H19N3O3/c1-22(18-9-5-14(12-23)6-10-18)20(27)25(21(28)24-22)13-19(26)17-8-7-15-3-2-4-16(15)11-17/h5-11H,2-4,13H2,1H3,(H,24,28)/t22-/m1/s1
InChIKeyMCZTWCGZQNDDNB-JOCHJYFZSA-N
MW373.41 g/mol
LogP2.70
Rot. Bonds4

About 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile

4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 25479689) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID25479689
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESC[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C22H19N3O3/c1-22(18-9-5-14(12-23)6-10-18)20(27)25(21(28)24-22)13-19(26)17-8-7-15-3-2-4-16(15)11-17/h5-11H,2-4,13H2,1H3,(H,24,28)/t22-/m1/s1
InChIKeyMCZTWCGZQNDDNB-JOCHJYFZSA-N
XLogP2.70
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.70
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

(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281
(5R)-5-(3,4-difluorophenyl)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 27145082
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
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4-[4-methyl-2,5-dioxo-1-(2-oxo-2-pyridin-4-ylethyl)imidazolidin-4-yl]benzonitrile
CID 155555500
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883923
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
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CID 24520101
3-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47092888
N-[4-[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]-2-methylpropanamide
CID 42918429
4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
CID 129398781
2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 29156541
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CID 47056816

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 25479689) is 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is MCZTWCGZQNDDNB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-22(18-9-5-14(12-23)6-10-18)20(27)25(21(28)24-22)13-19(26)17-8-7-15-3-2-4-16(15)11-17/h5-11H,2-4,13H2,1H3,(H,24,28)/t22-/m1/s1.
What are the key properties of 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile?
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 373.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 25479689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).