3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one

C8H14N2O — CID 145369188

IUPAC3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one
SMILESCc1c(C(C)C)[nH]c(=O)n1C
InChIInChI=1S/C8H14N2O/c1-5(2)7-6(3)10(4)8(11)9-7/h5H,1-4H3,(H,9,11)
InChIKeyDCFSCMXXYSHYIM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.15
Rot. Bonds1

About 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one

3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one (PubChem CID 145369188) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one
PubChem CID145369188
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one
SMILESCc1c(C(C)C)[nH]c(=O)n1C
InChIInChI=1S/C8H14N2O/c1-5(2)7-6(3)10(4)8(11)9-7/h5H,1-4H3,(H,9,11)
InChIKeyDCFSCMXXYSHYIM-UHFFFAOYSA-N
XLogP1.15
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.15
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
1,3,4-Trimethyl-5-propan-2-ylimidazol-2-one
CID 137448132
3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
CID 144531427

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one (CID 145369188) is 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one is Cc1c(C(C)C)[nH]c(=O)n1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one?
The InChIKey is DCFSCMXXYSHYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)7-6(3)10(4)8(11)9-7/h5H,1-4H3,(H,9,11).
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one?
3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 145369188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).