1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile

C15H14N4O2 — CID 69238133

IUPAC1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
SMILESCn1cc(C#N)nc1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-18-9-12(8-16)17-15(18)11-2-4-13(5-3-11)19-6-7-21-10-14(19)20/h2-5,9H,6-7,10H2,1H3
InChIKeyCGZXUBUMMUWPDZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile

1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile (PubChem CID 69238133) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
PubChem CID69238133
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
SMILESCn1cc(C#N)nc1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-18-9-12(8-16)17-15(18)11-2-4-13(5-3-11)19-6-7-21-10-14(19)20/h2-5,9H,6-7,10H2,1H3
InChIKeyCGZXUBUMMUWPDZ-UHFFFAOYSA-N
XLogP1.32
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
The IUPAC name of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile (CID 69238133) is 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
The canonical SMILES for 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile is Cn1cc(C#N)nc1-c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
The InChIKey is CGZXUBUMMUWPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-9-12(8-16)17-15(18)11-2-4-13(5-3-11)19-6-7-21-10-14(19)20/h2-5,9H,6-7,10H2,1H3.
What are the key properties of 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile?
1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile is sourced from PubChem (CID 69238133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).