2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile

C22H17N3O3 — CID 30292753

IUPAC2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
SMILESC[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O
InChIInChI=1S/C22H17N3O3/c1-22(19-7-4-12-28-19)20(26)25(21(27)24-22)14-15-8-10-16(11-9-15)18-6-3-2-5-17(18)13-23/h2-12H,14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyIJBJGMNCPYTYCW-QFIPXVFZSA-N
MW371.40 g/mol
LogP3.79
Rot. Bonds4

About 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile

2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile (PubChem CID 30292753) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
PubChem CID30292753
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
SMILESC[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O
InChIInChI=1S/C22H17N3O3/c1-22(19-7-4-12-28-19)20(26)25(21(27)24-22)14-15-8-10-16(11-9-15)18-6-3-2-5-17(18)13-23/h2-12H,14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyIJBJGMNCPYTYCW-QFIPXVFZSA-N
XLogP3.79
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.79
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

2-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzonitrile
CID 71899736
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
2-[4-[(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)methyl]phenyl]benzonitrile
CID 51333113
2-[4-[(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)methyl]phenyl]benzonitrile
CID 55512352
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94820088
(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 125419949
5-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 51951241
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767255
3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 103054477
(5S)-5-(furan-2-yl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 92786731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile (CID 30292753) is 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile is C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O.
What is the InChIKey of 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile?
The InChIKey is IJBJGMNCPYTYCW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-22(19-7-4-12-28-19)20(26)25(21(27)24-22)14-15-8-10-16(11-9-15)18-6-3-2-5-17(18)13-23/h2-12H,14H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile?
2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile has a molecular weight of 371.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 30292753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).