1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone

C9H16N2O — CID 118406272

IUPAC1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCC(=O)N1CCN=C1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7(12)11-6-5-10-8(11)9(2,3)4/h5-6H2,1-4H3
InChIKeyFCIGKSNWOJPWNL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.29
Rot. Bonds

About 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone

1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone (PubChem CID 118406272) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone
PubChem CID118406272
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCC(=O)N1CCN=C1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7(12)11-6-5-10-8(11)9(2,3)4/h5-6H2,1-4H3
InChIKeyFCIGKSNWOJPWNL-UHFFFAOYSA-N
XLogP1.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone (CID 118406272) is 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone is CC(=O)N1CCN=C1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone?
The InChIKey is FCIGKSNWOJPWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(12)11-6-5-10-8(11)9(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone?
1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4,5-dihydroimidazol-1-yl)ethanone is sourced from PubChem (CID 118406272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).