4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole

C14H18N2O2 — CID 67889602

IUPAC4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole
SMILESCOc1cn(-c2ccc(C(C)C)cc2OC)cn1
InChIInChI=1S/C14H18N2O2/c1-10(2)11-5-6-12(13(7-11)17-3)16-8-14(18-4)15-9-16/h5-10H,1-4H3
InChIKeyNLLHSVYKIZILSD-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.01
Rot. Bonds4

About 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole

4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole (PubChem CID 67889602) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole
PubChem CID67889602
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole
SMILESCOc1cn(-c2ccc(C(C)C)cc2OC)cn1
InChIInChI=1S/C14H18N2O2/c1-10(2)11-5-6-12(13(7-11)17-3)16-8-14(18-4)15-9-16/h5-10H,1-4H3
InChIKeyNLLHSVYKIZILSD-UHFFFAOYSA-N
XLogP3.01
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
The IUPAC name of 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole (CID 67889602) is 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole is COc1cn(-c2ccc(C(C)C)cc2OC)cn1.
What is the InChIKey of 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
The InChIKey is NLLHSVYKIZILSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)11-5-6-12(13(7-11)17-3)16-8-14(18-4)15-9-16/h5-10H,1-4H3.
What are the key properties of 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole has a molecular weight of 246.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 67889602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).