1-nonyl-4,5-dihydroimidazole

C12H24N2 — CID 23345662

IUPAC1-nonyl-4,5-dihydroimidazole
SMILESCCCCCCCCCN1C=NCC1
InChIInChI=1S/C12H24N2/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14/h12H,2-11H2,1H3
InChIKeyCFACTTCZHYDFDH-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.08
Rot. Bonds8

About 1-nonyl-4,5-dihydroimidazole

1-nonyl-4,5-dihydroimidazole (PubChem CID 23345662) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-nonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-nonyl-4,5-dihydroimidazole
PubChem CID23345662
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-nonyl-4,5-dihydroimidazole
SMILESCCCCCCCCCN1C=NCC1
InChIInChI=1S/C12H24N2/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14/h12H,2-11H2,1H3
InChIKeyCFACTTCZHYDFDH-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nonyl-4,5-dihydroimidazole?
The IUPAC name of 1-nonyl-4,5-dihydroimidazole (CID 23345662) is 1-nonyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-nonyl-4,5-dihydroimidazole?
The canonical SMILES for 1-nonyl-4,5-dihydroimidazole is CCCCCCCCCN1C=NCC1.
What is the InChIKey of 1-nonyl-4,5-dihydroimidazole?
The InChIKey is CFACTTCZHYDFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14/h12H,2-11H2,1H3.
What are the key properties of 1-nonyl-4,5-dihydroimidazole?
1-nonyl-4,5-dihydroimidazole has a molecular weight of 196.34 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4,5-dihydroimidazole is sourced from PubChem (CID 23345662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).