2-methyl-1-nonyl-4,5-dihydroimidazole

C13H26N2 — CID 3072978

IUPAC2-methyl-1-nonyl-4,5-dihydroimidazole
SMILESCCCCCCCCCN1CCN=C1C
InChIInChI=1S/C13H26N2/c1-3-4-5-6-7-8-9-11-15-12-10-14-13(15)2/h3-12H2,1-2H3
InChIKeyNNMCFQXDMFOABY-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds8

About 2-methyl-1-nonyl-4,5-dihydroimidazole

2-methyl-1-nonyl-4,5-dihydroimidazole (PubChem CID 3072978) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-1-nonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-nonyl-4,5-dihydroimidazole
PubChem CID3072978
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-methyl-1-nonyl-4,5-dihydroimidazole
SMILESCCCCCCCCCN1CCN=C1C
InChIInChI=1S/C13H26N2/c1-3-4-5-6-7-8-9-11-15-12-10-14-13(15)2/h3-12H2,1-2H3
InChIKeyNNMCFQXDMFOABY-UHFFFAOYSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
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 2-methyl-1-nonyl-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-nonyl-4,5-dihydroimidazole (CID 3072978) is 2-methyl-1-nonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-nonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-nonyl-4,5-dihydroimidazole is CCCCCCCCCN1CCN=C1C.
What is the InChIKey of 2-methyl-1-nonyl-4,5-dihydroimidazole?
The InChIKey is NNMCFQXDMFOABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-4-5-6-7-8-9-11-15-12-10-14-13(15)2/h3-12H2,1-2H3.
What are the key properties of 2-methyl-1-nonyl-4,5-dihydroimidazole?
2-methyl-1-nonyl-4,5-dihydroimidazole has a molecular weight of 210.36 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nonyl-4,5-dihydroimidazole is sourced from PubChem (CID 3072978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).