1-[5-(3-methylphenoxy)pentyl]imidazole

C15H20N2O — CID 3787293

IUPAC1-[5-(3-methylphenoxy)pentyl]imidazole
SMILESCc1cccc(OCCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O/c1-14-6-5-7-15(12-14)18-11-4-2-3-9-17-10-8-16-13-17/h5-8,10,12-13H,2-4,9,11H2,1H3
InChIKeyMGRHNVRMNBVYCG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.44
Rot. Bonds7

About 1-[5-(3-methylphenoxy)pentyl]imidazole

1-[5-(3-methylphenoxy)pentyl]imidazole (PubChem CID 3787293) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[5-(3-methylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(3-methylphenoxy)pentyl]imidazole
PubChem CID3787293
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[5-(3-methylphenoxy)pentyl]imidazole
SMILESCc1cccc(OCCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O/c1-14-6-5-7-15(12-14)18-11-4-2-3-9-17-10-8-16-13-17/h5-8,10,12-13H,2-4,9,11H2,1H3
InChIKeyMGRHNVRMNBVYCG-UHFFFAOYSA-N
XLogP3.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.44
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-[5-(3-methylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(3-methylphenoxy)pentyl]imidazole (CID 3787293) is 1-[5-(3-methylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(3-methylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(3-methylphenoxy)pentyl]imidazole is Cc1cccc(OCCCCCn2ccnc2)c1.
What is the InChIKey of 1-[5-(3-methylphenoxy)pentyl]imidazole?
The InChIKey is MGRHNVRMNBVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-14-6-5-7-15(12-14)18-11-4-2-3-9-17-10-8-16-13-17/h5-8,10,12-13H,2-4,9,11H2,1H3.
What are the key properties of 1-[5-(3-methylphenoxy)pentyl]imidazole?
1-[5-(3-methylphenoxy)pentyl]imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenoxy)pentyl]imidazole is sourced from PubChem (CID 3787293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).