5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole

C11H14N2O — CID 11183111

IUPAC5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(OCC2CN=CN2)cc1
InChIInChI=1S/C11H14N2O/c1-9-2-4-11(5-3-9)14-7-10-6-12-8-13-10/h2-5,8,10H,6-7H2,1H3,(H,12,13)
InChIKeyGRLJBPKBUVEXGW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.37
Rot. Bonds3

About 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole

5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 11183111) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
PubChem CID11183111
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(OCC2CN=CN2)cc1
InChIInChI=1S/C11H14N2O/c1-9-2-4-11(5-3-9)14-7-10-6-12-8-13-10/h2-5,8,10H,6-7H2,1H3,(H,12,13)
InChIKeyGRLJBPKBUVEXGW-UHFFFAOYSA-N
XLogP1.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CID 11183111) is 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole is Cc1ccc(OCC2CN=CN2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GRLJBPKBUVEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-2-4-11(5-3-9)14-7-10-6-12-8-13-10/h2-5,8,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 190.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11183111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).