1-[5-(2-methylphenoxy)pentyl]imidazole

C15H20N2O — CID 3841658

IUPAC1-[5-(2-methylphenoxy)pentyl]imidazole
SMILESCc1ccccc1OCCCCCn1ccnc1
InChIInChI=1S/C15H20N2O/c1-14-7-3-4-8-15(14)18-12-6-2-5-10-17-11-9-16-13-17/h3-4,7-9,11,13H,2,5-6,10,12H2,1H3
InChIKeyOUCXVPKFMSVDNV-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.44
Rot. Bonds7

About 1-[5-(2-methylphenoxy)pentyl]imidazole

1-[5-(2-methylphenoxy)pentyl]imidazole (PubChem CID 3841658) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[5-(2-methylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(2-methylphenoxy)pentyl]imidazole
PubChem CID3841658
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[5-(2-methylphenoxy)pentyl]imidazole
SMILESCc1ccccc1OCCCCCn1ccnc1
InChIInChI=1S/C15H20N2O/c1-14-7-3-4-8-15(14)18-12-6-2-5-10-17-11-9-16-13-17/h3-4,7-9,11,13H,2,5-6,10,12H2,1H3
InChIKeyOUCXVPKFMSVDNV-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-(2-methylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(2-methylphenoxy)pentyl]imidazole (CID 3841658) is 1-[5-(2-methylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(2-methylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(2-methylphenoxy)pentyl]imidazole is Cc1ccccc1OCCCCCn1ccnc1.
What is the InChIKey of 1-[5-(2-methylphenoxy)pentyl]imidazole?
The InChIKey is OUCXVPKFMSVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-14-7-3-4-8-15(14)18-12-6-2-5-10-17-11-9-16-13-17/h3-4,7-9,11,13H,2,5-6,10,12H2,1H3.
What are the key properties of 1-[5-(2-methylphenoxy)pentyl]imidazole?
1-[5-(2-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-(2-methylphenoxy)pentyl]imidazole is sourced from PubChem (CID 3841658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).