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

C18H24N2O — CID 173323765

IUPAC5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
SMILESc1ccc(C2CCCCC2)c(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C18H24N2O/c1-2-7-15(8-3-1)17-10-4-5-11-18(17)21-12-6-9-16-13-19-14-20-16/h4-5,10-11,13-15H,1-3,6-9,12H2,(H,19,20)
InChIKeySOEPGOOROLSMBK-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.47
Rot. Bonds6

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

5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole (PubChem CID 173323765) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
PubChem CID173323765
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
SMILESc1ccc(C2CCCCC2)c(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C18H24N2O/c1-2-7-15(8-3-1)17-10-4-5-11-18(17)21-12-6-9-16-13-19-14-20-16/h4-5,10-11,13-15H,1-3,6-9,12H2,(H,19,20)
InChIKeySOEPGOOROLSMBK-UHFFFAOYSA-N
XLogP4.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.47
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-cyclohexylphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole (CID 173323765) is 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole is c1ccc(C2CCCCC2)c(OCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole?
The InChIKey is SOEPGOOROLSMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-7-15(8-3-1)17-10-4-5-11-18(17)21-12-6-9-16-13-19-14-20-16/h4-5,10-11,13-15H,1-3,6-9,12H2,(H,19,20).
What are the key properties of 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole?
5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole has a molecular weight of 284.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 173323765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).