4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one

C20H30N2O — CID 10470920

IUPAC4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one
SMILESCc1cccc(C)c1-n1c(C(C)(C)C)c(C(C)(C)C)n(C)c1=O
InChIInChI=1S/C20H30N2O/c1-13-11-10-12-14(2)15(13)22-17(20(6,7)8)16(19(3,4)5)21(9)18(22)23/h10-12H,1-9H3
InChIKeyPGJUEFYUIUIGDP-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.39
Rot. Bonds1

About 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one

4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one (PubChem CID 10470920) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one
PubChem CID10470920
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one
SMILESCc1cccc(C)c1-n1c(C(C)(C)C)c(C(C)(C)C)n(C)c1=O
InChIInChI=1S/C20H30N2O/c1-13-11-10-12-14(2)15(13)22-17(20(6,7)8)16(19(3,4)5)21(9)18(22)23/h10-12H,1-9H3
InChIKeyPGJUEFYUIUIGDP-UHFFFAOYSA-N
XLogP4.39
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butyl-6-methylphenyl)pyrrole-2,5-dione
CID 57001906
3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475054
1-tert-butyl-7-methylindole-2,3-dione
CID 175712571
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
CID 102207415
1,5,6,10-tetramethylphenazine
CID 20660475
3-tert-butyl-4-(2,6-dimethylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 118544178
2-tert-butyl-1,4-dimethylindole
CID 121356408
3-(2-fluoro-6-methylphenyl)-1H-imidazol-2-one
CID 103126058
3-tert-butyl-4-(2,6-dimethylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole
CID 118544171
2-tert-butyl-5-[5-tert-butyl-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]pyrimidine
CID 118880322
5-tert-butyl-1-(2-ethyl-6-methylphenyl)pyrazole-4-carboxylic acid
CID 82361319
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one?
The IUPAC name of 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one (CID 10470920) is 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one.
What is the SMILES notation for 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one?
The canonical SMILES for 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one is Cc1cccc(C)c1-n1c(C(C)(C)C)c(C(C)(C)C)n(C)c1=O.
What is the InChIKey of 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one?
The InChIKey is PGJUEFYUIUIGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-13-11-10-12-14(2)15(13)22-17(20(6,7)8)16(19(3,4)5)21(9)18(22)23/h10-12H,1-9H3.
What are the key properties of 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one?
4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one has a molecular weight of 314.47 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1-(2,6-dimethylphenyl)-3-methylimidazol-2-one is sourced from PubChem (CID 10470920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).