1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile

C11H11N5O2 — CID 112595685

IUPAC1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC(=O)N2CCOCC2)c1C#N
InChIInChI=1S/C11H11N5O2/c12-5-9-10(6-13)16(8-14-9)7-11(17)15-1-3-18-4-2-15/h8H,1-4,7H2
InChIKeyTWRZIGGULJSDPB-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.51
Rot. Bonds2

About 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile

1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595685) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595685
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC(=O)N2CCOCC2)c1C#N
InChIInChI=1S/C11H11N5O2/c12-5-9-10(6-13)16(8-14-9)7-11(17)15-1-3-18-4-2-15/h8H,1-4,7H2
InChIKeyTWRZIGGULJSDPB-UHFFFAOYSA-N
XLogP-0.51
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
CID 112595168
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944330
5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
CID 112595008
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
2-(2-aminoimidazol-1-yl)-1-morpholin-4-ylethanone
CID 165481917
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
CID 112595697
N-(2-cyanophenyl)-2-(4,5-dicyanoimidazol-1-yl)acetamide
CID 115944720
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
3-[2-(4,5-dicyanoimidazol-1-yl)ethoxy]benzoic acid
CID 115944669

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile (CID 112595685) is 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CC(=O)N2CCOCC2)c1C#N.
What is the InChIKey of 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is TWRZIGGULJSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-5-9-10(6-13)16(8-14-9)7-11(17)15-1-3-18-4-2-15/h8H,1-4,7H2.
What are the key properties of 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile?
1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 245.24 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).