3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

C17H17N3O2 — CID 60619510

IUPAC3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)c1
InChIInChI=1S/C17H17N3O2/c18-9-11-2-1-3-12(8-11)10-20-15(21)17(13-4-5-13,14-6-7-14)19-16(20)22/h1-3,8,13-14H,4-7,10H2,(H,19,22)
InChIKeyDYCZQMRNXOFIHP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.17
Rot. Bonds4

About 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile (PubChem CID 60619510) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
PubChem CID60619510
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)c1
InChIInChI=1S/C17H17N3O2/c18-9-11-2-1-3-12(8-11)10-20-15(21)17(13-4-5-13,14-6-7-14)19-16(20)22/h1-3,8,13-14H,4-7,10H2,(H,19,22)
InChIKeyDYCZQMRNXOFIHP-UHFFFAOYSA-N
XLogP2.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7618742
3-[(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 62850026
3-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 24693226
3-[(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 82148682
5,5-dicyclopropyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60619542
3-[(3,3-dimethyl-2,6-dioxopiperazin-1-yl)methyl]benzonitrile
CID 66067693
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
3-[[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]benzonitrile
CID 98155460
3-[(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 60976545
3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
CID 24714519

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
The IUPAC name of 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile (CID 60619510) is 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile is N#Cc1cccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)c1.
What is the InChIKey of 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
The InChIKey is DYCZQMRNXOFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-9-11-2-1-3-12(8-11)10-20-15(21)17(13-4-5-13,14-6-7-14)19-16(20)22/h1-3,8,13-14H,4-7,10H2,(H,19,22).
What are the key properties of 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile?
3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 60619510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).