1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile

C11H14N4O2 — CID 112568361

IUPAC1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
SMILESCC(C)OCC(O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C11H14N4O2/c1-8(2)17-6-9(16)5-15-7-14-10(3-12)11(15)4-13/h7-9,16H,5-6H2,1-2H3
InChIKeyIRLTZOOJPYLRAM-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.41
Rot. Bonds5

About 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile

1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile (PubChem CID 112568361) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
PubChem CID112568361
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
SMILESCC(C)OCC(O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C11H14N4O2/c1-8(2)17-6-9(16)5-15-7-14-10(3-12)11(15)4-13/h7-9,16H,5-6H2,1-2H3
InChIKeyIRLTZOOJPYLRAM-UHFFFAOYSA-N
XLogP0.41
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-[(2S)-3-amino-2-hydroxypropyl]imidazole-4,5-dicarbonitrile
CID 130492578
1-(3-amino-2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595077
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-[2-hydroxy-3-(propylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595078
1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63987835
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
1-(2-phenyl-3-sulfanylpropyl)imidazole-4,5-dicarbonitrile
CID 112595930
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile (CID 112568361) is 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile is CC(C)OCC(O)Cn1cnc(C#N)c1C#N.
What is the InChIKey of 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile?
The InChIKey is IRLTZOOJPYLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8(2)17-6-9(16)5-15-7-14-10(3-12)11(15)4-13/h7-9,16H,5-6H2,1-2H3.
What are the key properties of 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile?
1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile has a molecular weight of 234.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112568361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).