1-nonylimidazole-4,5-dicarbonitrile

C14H20N4 — CID 112595489

IUPAC1-nonylimidazole-4,5-dicarbonitrile
SMILESCCCCCCCCCn1cnc(C#N)c1C#N
InChIInChI=1S/C14H20N4/c1-2-3-4-5-6-7-8-9-18-12-17-13(10-15)14(18)11-16/h12H,2-9H2,1H3
InChIKeyVFBVZIJMEOLIAL-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.38
Rot. Bonds8

About 1-nonylimidazole-4,5-dicarbonitrile

1-nonylimidazole-4,5-dicarbonitrile (PubChem CID 112595489) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-nonylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-nonylimidazole-4,5-dicarbonitrile
PubChem CID112595489
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-nonylimidazole-4,5-dicarbonitrile
SMILESCCCCCCCCCn1cnc(C#N)c1C#N
InChIInChI=1S/C14H20N4/c1-2-3-4-5-6-7-8-9-18-12-17-13(10-15)14(18)11-16/h12H,2-9H2,1H3
InChIKeyVFBVZIJMEOLIAL-UHFFFAOYSA-N
XLogP3.38
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hept-6-enylimidazole-4,5-dicarbonitrile
CID 107010176
1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
CID 112595008
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
CID 112595697
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
4,5-diethyl-1-hexylimidazole
CID 175316393

Frequently Asked Questions

What is the IUPAC name of 1-nonylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-nonylimidazole-4,5-dicarbonitrile (CID 112595489) is 1-nonylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-nonylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-nonylimidazole-4,5-dicarbonitrile is CCCCCCCCCn1cnc(C#N)c1C#N.
What is the InChIKey of 1-nonylimidazole-4,5-dicarbonitrile?
The InChIKey is VFBVZIJMEOLIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-3-4-5-6-7-8-9-18-12-17-13(10-15)14(18)11-16/h12H,2-9H2,1H3.
What are the key properties of 1-nonylimidazole-4,5-dicarbonitrile?
1-nonylimidazole-4,5-dicarbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).