2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

C13H16N2O — CID 106952008

IUPAC2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCc1cc(C)cc(CC2=NC(C)C(=O)N2)c1
InChIInChI=1S/C13H16N2O/c1-8-4-9(2)6-11(5-8)7-12-14-10(3)13(16)15-12/h4-6,10H,7H2,1-3H3,(H,14,15,16)
InChIKeySAIBUPFTWIAVRD-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.76
Rot. Bonds2

About 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952008) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952008
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCc1cc(C)cc(CC2=NC(C)C(=O)N2)c1
InChIInChI=1S/C13H16N2O/c1-8-4-9(2)6-11(5-8)7-12-14-10(3)13(16)15-12/h4-6,10H,7H2,1-3H3,(H,14,15,16)
InChIKeySAIBUPFTWIAVRD-UHFFFAOYSA-N
XLogP1.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952008) is 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is Cc1cc(C)cc(CC2=NC(C)C(=O)N2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is SAIBUPFTWIAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-9(2)6-11(5-8)7-12-14-10(3)13(16)15-12/h4-6,10H,7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 216.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).