4,5-dimethyl-3-propyl-1H-imidazol-2-one

C8H14N2O — CID 131155621

IUPAC4,5-dimethyl-3-propyl-1H-imidazol-2-one
SMILESCCCn1c(C)c(C)[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-4-5-10-7(3)6(2)9-8(10)11/h4-5H2,1-3H3,(H,9,11)
InChIKeyHGRWAMJQNCLDKX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds2

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

4,5-dimethyl-3-propyl-1H-imidazol-2-one (PubChem CID 131155621) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,5-dimethyl-3-propyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-propyl-1H-imidazol-2-one
PubChem CID131155621
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4,5-dimethyl-3-propyl-1H-imidazol-2-one
SMILESCCCn1c(C)c(C)[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-4-5-10-7(3)6(2)9-8(10)11/h4-5H2,1-3H3,(H,9,11)
InChIKeyHGRWAMJQNCLDKX-UHFFFAOYSA-N
XLogP1.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propyl-1H-imidazol-2-one?
The IUPAC name of 4,5-dimethyl-3-propyl-1H-imidazol-2-one (CID 131155621) is 4,5-dimethyl-3-propyl-1H-imidazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-propyl-1H-imidazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-propyl-1H-imidazol-2-one is CCCn1c(C)c(C)[nH]c1=O.
What is the InChIKey of 4,5-dimethyl-3-propyl-1H-imidazol-2-one?
The InChIKey is HGRWAMJQNCLDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-10-7(3)6(2)9-8(10)11/h4-5H2,1-3H3,(H,9,11).
What are the key properties of 4,5-dimethyl-3-propyl-1H-imidazol-2-one?
4,5-dimethyl-3-propyl-1H-imidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propyl-1H-imidazol-2-one is sourced from PubChem (CID 131155621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).