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

C13H16N2O — CID 11264399

IUPAC5-[3-(3-methylphenoxy)propyl]-1H-imidazole
SMILESCc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-11-4-2-6-13(8-11)16-7-3-5-12-9-14-10-15-12/h2,4,6,8-10H,3,5,7H2,1H3,(H,14,15)
InChIKeyCHCJLJUAXBICQQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds5

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

5-[3-(3-methylphenoxy)propyl]-1H-imidazole (PubChem CID 11264399) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[3-(3-methylphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-methylphenoxy)propyl]-1H-imidazole
PubChem CID11264399
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-[3-(3-methylphenoxy)propyl]-1H-imidazole
SMILESCc1cccc(OCCCc2cnc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-11-4-2-6-13(8-11)16-7-3-5-12-9-14-10-15-12/h2,4,6,8-10H,3,5,7H2,1H3,(H,14,15)
InChIKeyCHCJLJUAXBICQQ-UHFFFAOYSA-N
XLogP2.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.73
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-methylphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-methylphenoxy)propyl]-1H-imidazole (CID 11264399) is 5-[3-(3-methylphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-methylphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-methylphenoxy)propyl]-1H-imidazole is Cc1cccc(OCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[3-(3-methylphenoxy)propyl]-1H-imidazole?
The InChIKey is CHCJLJUAXBICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-4-2-6-13(8-11)16-7-3-5-12-9-14-10-15-12/h2,4,6,8-10H,3,5,7H2,1H3,(H,14,15).
What are the key properties of 5-[3-(3-methylphenoxy)propyl]-1H-imidazole?
5-[3-(3-methylphenoxy)propyl]-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 11264399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).