3,4,5-tri(propan-2-yl)-1H-imidazol-2-one

C12H22N2O — CID 90075912

IUPAC3,4,5-tri(propan-2-yl)-1H-imidazol-2-one
SMILESCC(C)c1[nH]c(=O)n(C(C)C)c1C(C)C
InChIInChI=1S/C12H22N2O/c1-7(2)10-11(8(3)4)14(9(5)6)12(15)13-10/h7-9H,1-6H3,(H,13,15)
InChIKeyOHLHRJWWKUCYRH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.00
Rot. Bonds3

About 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one

3,4,5-tri(propan-2-yl)-1H-imidazol-2-one (PubChem CID 90075912) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3,4,5-tri(propan-2-yl)-1H-imidazol-2-one
PubChem CID90075912
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3,4,5-tri(propan-2-yl)-1H-imidazol-2-one
SMILESCC(C)c1[nH]c(=O)n(C(C)C)c1C(C)C
InChIInChI=1S/C12H22N2O/c1-7(2)10-11(8(3)4)14(9(5)6)12(15)13-10/h7-9H,1-6H3,(H,13,15)
InChIKeyOHLHRJWWKUCYRH-UHFFFAOYSA-N
XLogP3.00
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one (CID 90075912) is 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one is CC(C)c1[nH]c(=O)n(C(C)C)c1C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one?
The InChIKey is OHLHRJWWKUCYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-7(2)10-11(8(3)4)14(9(5)6)12(15)13-10/h7-9H,1-6H3,(H,13,15).
What are the key properties of 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one?
3,4,5-tri(propan-2-yl)-1H-imidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 90075912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).