1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole

C17H16N2O — CID 71601948

IUPAC1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole
SMILESCc1ccccc1Oc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C17H16N2O/c1-14-5-2-3-8-17(14)20-16-7-4-6-15(11-16)12-19-10-9-18-13-19/h2-11,13H,12H2,1H3
InChIKeyNABBLEIBAMRJJB-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.03
Rot. Bonds4

About 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole

1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole (PubChem CID 71601948) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole
PubChem CID71601948
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole
SMILESCc1ccccc1Oc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C17H16N2O/c1-14-5-2-3-8-17(14)20-16-7-4-6-15(11-16)12-19-10-9-18-13-19/h2-11,13H,12H2,1H3
InChIKeyNABBLEIBAMRJJB-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole?
The IUPAC name of 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole (CID 71601948) is 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole?
The canonical SMILES for 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole is Cc1ccccc1Oc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole?
The InChIKey is NABBLEIBAMRJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-14-5-2-3-8-17(14)20-16-7-4-6-15(11-16)12-19-10-9-18-13-19/h2-11,13H,12H2,1H3.
What are the key properties of 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole?
1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole has a molecular weight of 264.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylphenoxy)phenyl]methyl]imidazole is sourced from PubChem (CID 71601948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).