2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile

C12H13N3O — CID 116980124

IUPAC2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
SMILESCc1ccc(C2CN(CC#N)C(=O)N2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)11-8-15(7-6-13)12(16)14-11/h2-5,11H,7-8H2,1H3,(H,14,16)
InChIKeyVDMCICUSLCAZEV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.58
Rot. Bonds2

About 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile

2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile (PubChem CID 116980124) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
PubChem CID116980124
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
SMILESCc1ccc(C2CN(CC#N)C(=O)N2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)11-8-15(7-6-13)12(16)14-11/h2-5,11H,7-8H2,1H3,(H,14,16)
InChIKeyVDMCICUSLCAZEV-UHFFFAOYSA-N
XLogP1.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980141
2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
1-ethyl-4-(6-methylnaphthalen-2-yl)imidazolidin-2-one
CID 116981065
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980248
1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
CID 116981024
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile (CID 116980124) is 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile is Cc1ccc(C2CN(CC#N)C(=O)N2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
The InChIKey is VDMCICUSLCAZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)11-8-15(7-6-13)12(16)14-11/h2-5,11H,7-8H2,1H3,(H,14,16).
What are the key properties of 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 116980124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).