5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole

C14H24N2O — CID 11276413

IUPAC5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole
SMILESc1ncc(CCCOCCC2CCCCC2)[nH]1
InChIInChI=1S/C14H24N2O/c1-2-5-13(6-3-1)8-10-17-9-4-7-14-11-15-12-16-14/h11-13H,1-10H2,(H,15,16)
InChIKeyMHWSYYMOQIBHGA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.33
Rot. Bonds7

About 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole

5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole (PubChem CID 11276413) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole
PubChem CID11276413
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole
SMILESc1ncc(CCCOCCC2CCCCC2)[nH]1
InChIInChI=1S/C14H24N2O/c1-2-5-13(6-3-1)8-10-17-9-4-7-14-11-15-12-16-14/h11-13H,1-10H2,(H,15,16)
InChIKeyMHWSYYMOQIBHGA-UHFFFAOYSA-N
XLogP3.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole (CID 11276413) is 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole is c1ncc(CCCOCCC2CCCCC2)[nH]1.
What is the InChIKey of 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole?
The InChIKey is MHWSYYMOQIBHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-5-13(6-3-1)8-10-17-9-4-7-14-11-15-12-16-14/h11-13H,1-10H2,(H,15,16).
What are the key properties of 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole?
5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole has a molecular weight of 236.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole is sourced from PubChem (CID 11276413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).