4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one

C8H14N2O — CID 105430146

IUPAC4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-5-6(8(2,3)4)10-7(11)9-5/h1-4H3,(H2,9,10,11)
InChIKeyLPIGMSPPKPPFSZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.31
Rot. Bonds

About 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one

4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 105430146) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID105430146
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-5-6(8(2,3)4)10-7(11)9-5/h1-4H3,(H2,9,10,11)
InChIKeyLPIGMSPPKPPFSZ-UHFFFAOYSA-N
XLogP1.31
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14090488
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CID 134990080
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CID 84763989
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CID 105447788
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CID 57798081
CID 57798081
CID 89068900
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CID 105430144
CID 105430144

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one (CID 105430146) is 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is LPIGMSPPKPPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-6(8(2,3)4)10-7(11)9-5/h1-4H3,(H2,9,10,11).
What are the key properties of 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one?
4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105430146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).