1-[3-(4-methylphenoxy)propyl]imidazole

C13H16N2O — CID 2841348

IUPAC1-[3-(4-methylphenoxy)propyl]imidazole
SMILESCc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C13H16N2O/c1-12-3-5-13(6-4-12)16-10-2-8-15-9-7-14-11-15/h3-7,9,11H,2,8,10H2,1H3
InChIKeyZBMJKUZAILIVOY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-(4-methylphenoxy)propyl]imidazole

1-[3-(4-methylphenoxy)propyl]imidazole (PubChem CID 2841348) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]imidazole
PubChem CID2841348
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[3-(4-methylphenoxy)propyl]imidazole
SMILESCc1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C13H16N2O/c1-12-3-5-13(6-4-12)16-10-2-8-15-9-7-14-11-15/h3-7,9,11H,2,8,10H2,1H3
InChIKeyZBMJKUZAILIVOY-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[3-(4-methylphenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]imidazole (CID 2841348) is 1-[3-(4-methylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]imidazole is Cc1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]imidazole?
The InChIKey is ZBMJKUZAILIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-12-3-5-13(6-4-12)16-10-2-8-15-9-7-14-11-15/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 1-[3-(4-methylphenoxy)propyl]imidazole?
1-[3-(4-methylphenoxy)propyl]imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propyl]imidazole is sourced from PubChem (CID 2841348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).