2-tert-butyl-1-methyl-4H-imidazol-5-one

C8H14N2O — CID 59021731

IUPAC2-tert-butyl-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)CN=C1C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h5H2,1-4H3
InChIKeyRTCGJHGBPVFIBB-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds

About 2-tert-butyl-1-methyl-4H-imidazol-5-one

2-tert-butyl-1-methyl-4H-imidazol-5-one (PubChem CID 59021731) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4H-imidazol-5-one
PubChem CID59021731
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-tert-butyl-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)CN=C1C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h5H2,1-4H3
InChIKeyRTCGJHGBPVFIBB-UHFFFAOYSA-N
XLogP0.90
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-4H-imidazol-5-one?
The IUPAC name of 2-tert-butyl-1-methyl-4H-imidazol-5-one (CID 59021731) is 2-tert-butyl-1-methyl-4H-imidazol-5-one.
What is the SMILES notation for 2-tert-butyl-1-methyl-4H-imidazol-5-one?
The canonical SMILES for 2-tert-butyl-1-methyl-4H-imidazol-5-one is CN1C(=O)CN=C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-4H-imidazol-5-one?
The InChIKey is RTCGJHGBPVFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h5H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-4H-imidazol-5-one?
2-tert-butyl-1-methyl-4H-imidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4H-imidazol-5-one is sourced from PubChem (CID 59021731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).