1,4-dimethyl-2-(4-methylphenoxy)imidazole

C12H14N2O — CID 117189505

IUPAC1,4-dimethyl-2-(4-methylphenoxy)imidazole
SMILESCc1ccc(Oc2nc(C)cn2C)cc1
InChIInChI=1S/C12H14N2O/c1-9-4-6-11(7-5-9)15-12-13-10(2)8-14(12)3/h4-8H,1-3H3
InChIKeyROEQVDCIRNLEAC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.83
Rot. Bonds2

About 1,4-dimethyl-2-(4-methylphenoxy)imidazole

1,4-dimethyl-2-(4-methylphenoxy)imidazole (PubChem CID 117189505) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,4-dimethyl-2-(4-methylphenoxy)imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-(4-methylphenoxy)imidazole
PubChem CID117189505
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,4-dimethyl-2-(4-methylphenoxy)imidazole
SMILESCc1ccc(Oc2nc(C)cn2C)cc1
InChIInChI=1S/C12H14N2O/c1-9-4-6-11(7-5-9)15-12-13-10(2)8-14(12)3/h4-8H,1-3H3
InChIKeyROEQVDCIRNLEAC-UHFFFAOYSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(4-methylphenoxy)imidazole?
The IUPAC name of 1,4-dimethyl-2-(4-methylphenoxy)imidazole (CID 117189505) is 1,4-dimethyl-2-(4-methylphenoxy)imidazole.
What is the SMILES notation for 1,4-dimethyl-2-(4-methylphenoxy)imidazole?
The canonical SMILES for 1,4-dimethyl-2-(4-methylphenoxy)imidazole is Cc1ccc(Oc2nc(C)cn2C)cc1.
What is the InChIKey of 1,4-dimethyl-2-(4-methylphenoxy)imidazole?
The InChIKey is ROEQVDCIRNLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-6-11(7-5-9)15-12-13-10(2)8-14(12)3/h4-8H,1-3H3.
What are the key properties of 1,4-dimethyl-2-(4-methylphenoxy)imidazole?
1,4-dimethyl-2-(4-methylphenoxy)imidazole has a molecular weight of 202.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(4-methylphenoxy)imidazole is sourced from PubChem (CID 117189505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).