3-(2,3-dimethylbutyl)-1H-imidazol-2-one

C9H16N2O — CID 21336390

IUPAC3-(2,3-dimethylbutyl)-1H-imidazol-2-one
SMILESCC(C)C(C)Cn1cc[nH]c1=O
InChIInChI=1S/C9H16N2O/c1-7(2)8(3)6-11-5-4-10-9(11)12/h4-5,7-8H,6H2,1-3H3,(H,10,12)
InChIKeyBPQBMOAZFOGIFQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.47
Rot. Bonds3

About 3-(2,3-dimethylbutyl)-1H-imidazol-2-one

3-(2,3-dimethylbutyl)-1H-imidazol-2-one (PubChem CID 21336390) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-1H-imidazol-2-one
PubChem CID21336390
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(2,3-dimethylbutyl)-1H-imidazol-2-one
SMILESCC(C)C(C)Cn1cc[nH]c1=O
InChIInChI=1S/C9H16N2O/c1-7(2)8(3)6-11-5-4-10-9(11)12/h4-5,7-8H,6H2,1-3H3,(H,10,12)
InChIKeyBPQBMOAZFOGIFQ-UHFFFAOYSA-N
XLogP1.47
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2,3-dimethylbutyl)-1H-imidazol-2-one (CID 21336390) is 3-(2,3-dimethylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2,3-dimethylbutyl)-1H-imidazol-2-one is CC(C)C(C)Cn1cc[nH]c1=O.
What is the InChIKey of 3-(2,3-dimethylbutyl)-1H-imidazol-2-one?
The InChIKey is BPQBMOAZFOGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)8(3)6-11-5-4-10-9(11)12/h4-5,7-8H,6H2,1-3H3,(H,10,12).
What are the key properties of 3-(2,3-dimethylbutyl)-1H-imidazol-2-one?
3-(2,3-dimethylbutyl)-1H-imidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 21336390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).