2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile

C11H16N4O — CID 84740311

IUPAC2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1nc(C(C#N)N2CCOCC2)c(C)[nH]1
InChIInChI=1S/C11H16N4O/c1-8-11(14-9(2)13-8)10(7-12)15-3-5-16-6-4-15/h10H,3-6H2,1-2H3,(H,13,14)
InChIKeyXNPQGVHNTUFNLJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.92
Rot. Bonds2

About 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile

2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile (PubChem CID 84740311) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile
PubChem CID84740311
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1nc(C(C#N)N2CCOCC2)c(C)[nH]1
InChIInChI=1S/C11H16N4O/c1-8-11(14-9(2)13-8)10(7-12)15-3-5-16-6-4-15/h10H,3-6H2,1-2H3,(H,13,14)
InChIKeyXNPQGVHNTUFNLJ-UHFFFAOYSA-N
XLogP0.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile (CID 84740311) is 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile is Cc1nc(C(C#N)N2CCOCC2)c(C)[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile?
The InChIKey is XNPQGVHNTUFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-11(14-9(2)13-8)10(7-12)15-3-5-16-6-4-15/h10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile?
2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-imidazol-4-yl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 84740311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).