1,3-ditert-butylimidazol-2-one

C11H20N2O — CID 11435534

IUPAC1,3-ditert-butylimidazol-2-one
SMILESCC(C)(C)n1ccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H20N2O/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6/h7-8H,1-6H3
InChIKeyRVTMBRNIELNMBY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.16
Rot. Bonds

About 1,3-ditert-butylimidazol-2-one

1,3-ditert-butylimidazol-2-one (PubChem CID 11435534) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3-ditert-butylimidazol-2-one.

Molecular Properties

Compound Name1,3-ditert-butylimidazol-2-one
PubChem CID11435534
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,3-ditert-butylimidazol-2-one
SMILESCC(C)(C)n1ccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H20N2O/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6/h7-8H,1-6H3
InChIKeyRVTMBRNIELNMBY-UHFFFAOYSA-N
XLogP2.16
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylimidazol-2-one?
The IUPAC name of 1,3-ditert-butylimidazol-2-one (CID 11435534) is 1,3-ditert-butylimidazol-2-one.
What is the SMILES notation for 1,3-ditert-butylimidazol-2-one?
The canonical SMILES for 1,3-ditert-butylimidazol-2-one is CC(C)(C)n1ccn(C(C)(C)C)c1=O.
What is the InChIKey of 1,3-ditert-butylimidazol-2-one?
The InChIKey is RVTMBRNIELNMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6/h7-8H,1-6H3.
What are the key properties of 1,3-ditert-butylimidazol-2-one?
1,3-ditert-butylimidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylimidazol-2-one is sourced from PubChem (CID 11435534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).