2-(nonoxymethyl)-1H-imidazole

C13H24N2O — CID 131844206

IUPAC2-(nonoxymethyl)-1H-imidazole
SMILESCCCCCCCCCOCc1ncc[nH]1
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-11-16-12-13-14-9-10-15-13/h9-10H,2-8,11-12H2,1H3,(H,14,15)
InChIKeyUOMKPZBEYLUVSA-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.68
Rot. Bonds10

About 2-(nonoxymethyl)-1H-imidazole

2-(nonoxymethyl)-1H-imidazole (PubChem CID 131844206) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(nonoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(nonoxymethyl)-1H-imidazole
PubChem CID131844206
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(nonoxymethyl)-1H-imidazole
SMILESCCCCCCCCCOCc1ncc[nH]1
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-11-16-12-13-14-9-10-15-13/h9-10H,2-8,11-12H2,1H3,(H,14,15)
InChIKeyUOMKPZBEYLUVSA-UHFFFAOYSA-N
XLogP3.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-[(4-hexoxyphenyl)methyl]-1H-imidazole
CID 70637422
2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
CID 173264611
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-(pentoxymethyl)-1H-benzimidazole
CID 139950764
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-hexadecyl-1H-imidazole;urea
CID 174763574

Frequently Asked Questions

What is the IUPAC name of 2-(nonoxymethyl)-1H-imidazole?
The IUPAC name of 2-(nonoxymethyl)-1H-imidazole (CID 131844206) is 2-(nonoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(nonoxymethyl)-1H-imidazole?
The canonical SMILES for 2-(nonoxymethyl)-1H-imidazole is CCCCCCCCCOCc1ncc[nH]1.
What is the InChIKey of 2-(nonoxymethyl)-1H-imidazole?
The InChIKey is UOMKPZBEYLUVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-11-16-12-13-14-9-10-15-13/h9-10H,2-8,11-12H2,1H3,(H,14,15).
What are the key properties of 2-(nonoxymethyl)-1H-imidazole?
2-(nonoxymethyl)-1H-imidazole has a molecular weight of 224.35 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonoxymethyl)-1H-imidazole is sourced from PubChem (CID 131844206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).