4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one

C12H14N2O — CID 116879708

IUPAC4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one
SMILESCc1cc(C)c(-c2c[nH]c(=O)[nH]2)cc1C
InChIInChI=1S/C12H14N2O/c1-7-4-9(3)10(5-8(7)2)11-6-13-12(15)14-11/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyZTTGLXVIHLWLNJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.30
Rot. Bonds1

About 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one

4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one (PubChem CID 116879708) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one
PubChem CID116879708
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one
SMILESCc1cc(C)c(-c2c[nH]c(=O)[nH]2)cc1C
InChIInChI=1S/C12H14N2O/c1-7-4-9(3)10(5-8(7)2)11-6-13-12(15)14-11/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyZTTGLXVIHLWLNJ-UHFFFAOYSA-N
XLogP2.30
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one (CID 116879708) is 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one is Cc1cc(C)c(-c2c[nH]c(=O)[nH]2)cc1C.
What is the InChIKey of 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is ZTTGLXVIHLWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-4-9(3)10(5-8(7)2)11-6-13-12(15)14-11/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one?
4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 116879708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).