3,4-di(propan-2-yl)-1H-imidazol-2-one

C9H16N2O — CID 81446530

IUPAC3,4-di(propan-2-yl)-1H-imidazol-2-one
SMILESCC(C)c1c[nH]c(=O)n1C(C)C
InChIInChI=1S/C9H16N2O/c1-6(2)8-5-10-9(12)11(8)7(3)4/h5-7H,1-4H3,(H,10,12)
InChIKeyUXMLIXHHIPQLHJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.88
Rot. Bonds2

About 3,4-di(propan-2-yl)-1H-imidazol-2-one

3,4-di(propan-2-yl)-1H-imidazol-2-one (PubChem CID 81446530) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1H-imidazol-2-one
PubChem CID81446530
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3,4-di(propan-2-yl)-1H-imidazol-2-one
SMILESCC(C)c1c[nH]c(=O)n1C(C)C
InChIInChI=1S/C9H16N2O/c1-6(2)8-5-10-9(12)11(8)7(3)4/h5-7H,1-4H3,(H,10,12)
InChIKeyUXMLIXHHIPQLHJ-UHFFFAOYSA-N
XLogP1.88
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3,4-di(propan-2-yl)-1H-imidazol-2-one (CID 81446530) is 3,4-di(propan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3,4-di(propan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3,4-di(propan-2-yl)-1H-imidazol-2-one is CC(C)c1c[nH]c(=O)n1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1H-imidazol-2-one?
The InChIKey is UXMLIXHHIPQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)8-5-10-9(12)11(8)7(3)4/h5-7H,1-4H3,(H,10,12).
What are the key properties of 3,4-di(propan-2-yl)-1H-imidazol-2-one?
3,4-di(propan-2-yl)-1H-imidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 81446530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).