5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole

C15H26N2O — CID 11345716

IUPAC5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole
SMILESc1ncc(CCCOCCCC2CCCCC2)[nH]1
InChIInChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-13-17-15/h12-14H,1-11H2,(H,16,17)
InChIKeyVQCKMQGENVNBMJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.72
Rot. Bonds8

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

5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole (PubChem CID 11345716) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole
PubChem CID11345716
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole
SMILESc1ncc(CCCOCCCC2CCCCC2)[nH]1
InChIInChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-13-17-15/h12-14H,1-11H2,(H,16,17)
InChIKeyVQCKMQGENVNBMJ-UHFFFAOYSA-N
XLogP3.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.72
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-(3-cyclohexylpropoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole (CID 11345716) is 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole is c1ncc(CCCOCCCC2CCCCC2)[nH]1.
What is the InChIKey of 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole?
The InChIKey is VQCKMQGENVNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-13-17-15/h12-14H,1-11H2,(H,16,17).
What are the key properties of 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole?
5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole has a molecular weight of 250.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole is sourced from PubChem (CID 11345716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).