2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile

C14H15N3O2 — CID 2585411

IUPAC2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C14H15N3O2/c1-2-8-14(11-6-4-3-5-7-11)12(18)17(10-9-15)13(19)16-14/h3-7H,2,8,10H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeySMCGMDVOVHGTNL-CQSZACIVSA-N
MW257.29 g/mol
LogP1.76
Rot. Bonds4

About 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile

2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile (PubChem CID 2585411) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
PubChem CID2585411
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C14H15N3O2/c1-2-8-14(11-6-4-3-5-7-11)12(18)17(10-9-15)13(19)16-14/h3-7H,2,8,10H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeySMCGMDVOVHGTNL-CQSZACIVSA-N
XLogP1.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-phenyl-5-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40882948
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7041273
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 136574650
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
CID 24566030
2-[4-(4-ethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148290
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile (CID 2585411) is 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile is CCC[C@]1(c2ccccc2)NC(=O)N(CC#N)C1=O.
What is the InChIKey of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile?
The InChIKey is SMCGMDVOVHGTNL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-8-14(11-6-4-3-5-7-11)12(18)17(10-9-15)13(19)16-14/h3-7H,2,8,10H2,1H3,(H,16,19)/t14-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile?
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile has a molecular weight of 257.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 2585411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).