4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one

C12H14N2O3 — CID 116879754

IUPAC4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one
SMILESCOc1cc(C)c(-c2c[nH]c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C12H14N2O3/c1-7-4-8(16-2)5-10(17-3)11(7)9-6-13-12(15)14-9/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyPOWRRLNUPLXAQR-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.70
Rot. Bonds3

About 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one

4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one (PubChem CID 116879754) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one
PubChem CID116879754
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one
SMILESCOc1cc(C)c(-c2c[nH]c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C12H14N2O3/c1-7-4-8(16-2)5-10(17-3)11(7)9-6-13-12(15)14-9/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyPOWRRLNUPLXAQR-UHFFFAOYSA-N
XLogP1.70
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one (CID 116879754) is 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one is COc1cc(C)c(-c2c[nH]c(=O)[nH]2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is POWRRLNUPLXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-8(16-2)5-10(17-3)11(7)9-6-13-12(15)14-9/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one?
4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 116879754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).