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

C14H18N2O — CID 11817092

IUPAC5-[3-(3-ethylphenoxy)propyl]-1H-imidazole
SMILESCCc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C14H18N2O/c1-2-12-5-3-7-14(9-12)17-8-4-6-13-10-15-11-16-13/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyUBGVNGMSPVHKOI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.98
Rot. Bonds6

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

5-[3-(3-ethylphenoxy)propyl]-1H-imidazole (PubChem CID 11817092) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-ethylphenoxy)propyl]-1H-imidazole
PubChem CID11817092
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[3-(3-ethylphenoxy)propyl]-1H-imidazole
SMILESCCc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C14H18N2O/c1-2-12-5-3-7-14(9-12)17-8-4-6-13-10-15-11-16-13/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyUBGVNGMSPVHKOI-UHFFFAOYSA-N
XLogP2.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.98
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-ethylphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole (CID 11817092) is 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole is CCc1cccc(OCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole?
The InChIKey is UBGVNGMSPVHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-12-5-3-7-14(9-12)17-8-4-6-13-10-15-11-16-13/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole?
5-[3-(3-ethylphenoxy)propyl]-1H-imidazole has a molecular weight of 230.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-ethylphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 11817092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).