2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole

C11H20N2O2 — CID 173264611

IUPAC2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
SMILESCCOCCOCCCCc1ncc[nH]1
InChIInChI=1S/C11H20N2O2/c1-2-14-9-10-15-8-4-3-5-11-12-6-7-13-11/h6-7H,2-5,8-10H2,1H3,(H,12,13)
InChIKeyVUDDDXAQUIWDOV-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.79
Rot. Bonds9

About 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole

2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole (PubChem CID 173264611) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
PubChem CID173264611
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
SMILESCCOCCOCCCCc1ncc[nH]1
InChIInChI=1S/C11H20N2O2/c1-2-14-9-10-15-8-4-3-5-11-12-6-7-13-11/h6-7H,2-5,8-10H2,1H3,(H,12,13)
InChIKeyVUDDDXAQUIWDOV-UHFFFAOYSA-N
XLogP1.79
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-(nonoxymethyl)-1H-imidazole
CID 131844206
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232
ethyl 5-(1H-imidazol-2-yl)pentanoate
CID 173264973
2-butyl-1H-imidazole;cyclohexane
CID 173413359
N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115608422
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole?
The IUPAC name of 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole (CID 173264611) is 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole is CCOCCOCCCCc1ncc[nH]1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole?
The InChIKey is VUDDDXAQUIWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-14-9-10-15-8-4-3-5-11-12-6-7-13-11/h6-7H,2-5,8-10H2,1H3,(H,12,13).
What are the key properties of 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole?
2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole has a molecular weight of 212.29 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole is sourced from PubChem (CID 173264611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).