2-nonyl-1H-imidazole

C12H22N2 — CID 22998707

IUPAC2-nonyl-1H-imidazole
SMILESCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyJPZKJZJFMLNIMB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.70
Rot. Bonds8

About 2-nonyl-1H-imidazole

2-nonyl-1H-imidazole (PubChem CID 22998707) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-nonyl-1H-imidazole.

Molecular Properties

Compound Name2-nonyl-1H-imidazole
PubChem CID22998707
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-nonyl-1H-imidazole
SMILESCCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyJPZKJZJFMLNIMB-UHFFFAOYSA-N
XLogP3.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
1H-Imidazole, 2-undecyl-
CID 85582
1H-Imidazole, 2-heptadecyl-
CID 90068
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617
2-butyl-1H-imidazole
CID 11815351
4-(1H-Imidazol-2-yl)piperidine
CID 13281190
1-Decyl-2-methyl-1H-imidazole
CID 2775924
N-(3-imidazol-1-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 3000213
2-(2-Methylpropyl)-1H-imidazole
CID 109093
2-(Henicosafluorodecyl)-1h-imidazole
CID 575911

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1H-imidazole?
The IUPAC name of 2-nonyl-1H-imidazole (CID 22998707) is 2-nonyl-1H-imidazole.
What is the SMILES notation for 2-nonyl-1H-imidazole?
The canonical SMILES for 2-nonyl-1H-imidazole is CCCCCCCCCc1ncc[nH]1.
What is the InChIKey of 2-nonyl-1H-imidazole?
The InChIKey is JPZKJZJFMLNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-nonyl-1H-imidazole?
2-nonyl-1H-imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1H-imidazole is sourced from PubChem (CID 22998707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).