4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one

C9H16N2O — CID 155116175

IUPAC4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one
SMILESCCc1c(C(C)C)[nH]c(=O)n1C
InChIInChI=1S/C9H16N2O/c1-5-7-8(6(2)3)10-9(12)11(7)4/h6H,5H2,1-4H3,(H,10,12)
InChIKeyOGXVUWSNUHIHIS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.40
Rot. Bonds2

About 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one

4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one (PubChem CID 155116175) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one
PubChem CID155116175
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one
SMILESCCc1c(C(C)C)[nH]c(=O)n1C
InChIInChI=1S/C9H16N2O/c1-5-7-8(6(2)3)10-9(12)11(7)4/h6H,5H2,1-4H3,(H,10,12)
InChIKeyOGXVUWSNUHIHIS-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-diethyl-3-methyl-1H-imidazol-2-one
CID 21856644
4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one
CID 143790256
3,4,5-triethyl-1H-imidazol-2-one
CID 21856643
4-Ethyl-1,3,5-trimethylimidazol-2-one
CID 53859701
4,5-Di(propan-2-yl)-1,3-dihydroimidazol-2-one
CID 57798081
4-Methyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 89068900
3,4,5-tri(propan-2-yl)-1H-imidazol-2-one
CID 90075912
4-Ethyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105430144
4-ethyl-3,5-dimethyl-1H-imidazol-2-one
CID 117884485
1,3-Dimethyl-1-(4-methylhex-3-en-3-yl)urea
CID 123545126
3-Methyl-4,5-di(propan-2-yl)-1,2-dihydroimidazole
CID 130432035
1,3,4-Trimethyl-5-propan-2-ylimidazol-2-one
CID 137448132

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one (CID 155116175) is 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one is CCc1c(C(C)C)[nH]c(=O)n1C.
What is the InChIKey of 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one?
The InChIKey is OGXVUWSNUHIHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7-8(6(2)3)10-9(12)11(7)4/h6H,5H2,1-4H3,(H,10,12).
What are the key properties of 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one?
4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 155116175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).