1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile

C12H14N4O2 — CID 99838739

IUPAC1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCO[C@@H]2CCCCO2)c1C#N
InChIInChI=1S/C12H14N4O2/c13-7-10-11(8-14)16(9-15-10)4-6-18-12-3-1-2-5-17-12/h9,12H,1-6H2/t12-/m1/s1
InChIKeyVKUZOCAKDFCGQC-GFCCVEGCSA-N
MW246.27 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile

1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile (PubChem CID 99838739) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
PubChem CID99838739
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCO[C@@H]2CCCCO2)c1C#N
InChIInChI=1S/C12H14N4O2/c13-7-10-11(8-14)16(9-15-10)4-6-18-12-3-1-2-5-17-12/h9,12H,1-6H2/t12-/m1/s1
InChIKeyVKUZOCAKDFCGQC-GFCCVEGCSA-N
XLogP1.17
TPSA83.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
4-bromo-1-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrrole-2-carbonitrile
CID 165127532
3-[2-(4,5-dicyanoimidazol-1-yl)ethoxy]benzoic acid
CID 115944669
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
CID 169042452
2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile
CID 163399060
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101178662
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile (CID 99838739) is 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCO[C@@H]2CCCCO2)c1C#N.
What is the InChIKey of 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile?
The InChIKey is VKUZOCAKDFCGQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-10-11(8-14)16(9-15-10)4-6-18-12-3-1-2-5-17-12/h9,12H,1-6H2/t12-/m1/s1.
What are the key properties of 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile?
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile has a molecular weight of 246.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 99838739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).