1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile

C10H12N4O — CID 75498455

IUPAC1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile
SMILESCC(C)OCCn1cnc(C#N)c1C#N
InChIInChI=1S/C10H12N4O/c1-8(2)15-4-3-14-7-13-9(5-11)10(14)6-12/h7-8H,3-4H2,1-2H3
InChIKeyCVPMDFOWWNNTCJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.05
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile

1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile (PubChem CID 75498455) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile
PubChem CID75498455
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile
SMILESCC(C)OCCn1cnc(C#N)c1C#N
InChIInChI=1S/C10H12N4O/c1-8(2)15-4-3-14-7-13-9(5-11)10(14)6-12/h7-8H,3-4H2,1-2H3
InChIKeyCVPMDFOWWNNTCJ-UHFFFAOYSA-N
XLogP1.05
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile (CID 75498455) is 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile is CC(C)OCCn1cnc(C#N)c1C#N.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is CVPMDFOWWNNTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(2)15-4-3-14-7-13-9(5-11)10(14)6-12/h7-8H,3-4H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile?
1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 75498455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).