1-pentan-2-ylimidazole-4,5-dicarbonitrile

C10H12N4 — CID 107887293

IUPAC1-pentan-2-ylimidazole-4,5-dicarbonitrile
SMILESCCCC(C)n1cnc(C#N)c1C#N
InChIInChI=1S/C10H12N4/c1-3-4-8(2)14-7-13-9(5-11)10(14)6-12/h7-8H,3-4H2,1-2H3
InChIKeyRBLOCFBMZNYFGC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds3

About 1-pentan-2-ylimidazole-4,5-dicarbonitrile

1-pentan-2-ylimidazole-4,5-dicarbonitrile (PubChem CID 107887293) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-pentan-2-ylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-pentan-2-ylimidazole-4,5-dicarbonitrile
PubChem CID107887293
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-pentan-2-ylimidazole-4,5-dicarbonitrile
SMILESCCCC(C)n1cnc(C#N)c1C#N
InChIInChI=1S/C10H12N4/c1-3-4-8(2)14-7-13-9(5-11)10(14)6-12/h7-8H,3-4H2,1-2H3
InChIKeyRBLOCFBMZNYFGC-UHFFFAOYSA-N
XLogP1.99
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-oxobutan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595248
(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid
CID 107427784
1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 12947421
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944623
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944586
1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594940
1-[2-amino-1-(3-methylthiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594889
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-pentan-2-ylimidazole-4,5-dicarbonitrile (CID 107887293) is 1-pentan-2-ylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-pentan-2-ylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-pentan-2-ylimidazole-4,5-dicarbonitrile is CCCC(C)n1cnc(C#N)c1C#N.
What is the InChIKey of 1-pentan-2-ylimidazole-4,5-dicarbonitrile?
The InChIKey is RBLOCFBMZNYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-4-8(2)14-7-13-9(5-11)10(14)6-12/h7-8H,3-4H2,1-2H3.
What are the key properties of 1-pentan-2-ylimidazole-4,5-dicarbonitrile?
1-pentan-2-ylimidazole-4,5-dicarbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 107887293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).