2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile

C15H19N3O — CID 116982461

IUPAC2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile
SMILESCc1cc(C)c(C2CN(CC#N)C(=O)N2C)c(C)c1
InChIInChI=1S/C15H19N3O/c1-10-7-11(2)14(12(3)8-10)13-9-18(6-5-16)15(19)17(13)4/h7-8,13H,6,9H2,1-4H3
InChIKeyAYTHVEFJKBXJSM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.54
Rot. Bonds2

About 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile

2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile (PubChem CID 116982461) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile
PubChem CID116982461
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile
SMILESCc1cc(C)c(C2CN(CC#N)C(=O)N2C)c(C)c1
InChIInChI=1S/C15H19N3O/c1-10-7-11(2)14(12(3)8-10)13-9-18(6-5-16)15(19)17(13)4/h7-8,13H,6,9H2,1-4H3
InChIKeyAYTHVEFJKBXJSM-UHFFFAOYSA-N
XLogP2.54
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile (CID 116982461) is 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile is Cc1cc(C)c(C2CN(CC#N)C(=O)N2C)c(C)c1.
What is the InChIKey of 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile?
The InChIKey is AYTHVEFJKBXJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-11(2)14(12(3)8-10)13-9-18(6-5-16)15(19)17(13)4/h7-8,13H,6,9H2,1-4H3.
What are the key properties of 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile?
2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 116982461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).