1-(2-tert-butyl-1H-imidazol-5-yl)ethanone

C9H14N2O — CID 13483384

IUPAC1-(2-tert-butyl-1H-imidazol-5-yl)ethanone
SMILESCC(=O)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(12)7-5-10-8(11-7)9(2,3)4/h5H,1-4H3,(H,10,11)
InChIKeyUQDJKZBQJNZQID-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds1

About 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone

1-(2-tert-butyl-1H-imidazol-5-yl)ethanone (PubChem CID 13483384) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-1H-imidazol-5-yl)ethanone
PubChem CID13483384
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2-tert-butyl-1H-imidazol-5-yl)ethanone
SMILESCC(=O)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(12)7-5-10-8(11-7)9(2,3)4/h5H,1-4H3,(H,10,11)
InChIKeyUQDJKZBQJNZQID-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bulbimidazole B
CID 68947449
2-cyclopropyl-1H-imidazole-4-carboxamide
CID 71755948
1-(1H-imidazol-4-yl)ethan-1-one
CID 565600
2-Methyl-1H-imidazole-4-carboxaldehyde
CID 2795878
2-Butyl-5-formylimidazole
CID 2735671
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
1-(4-Methyl-1H-imidazol-2-yl)ethanone
CID 565883
2,2,2-Trifluoro-1-(1H-imidazol-4-yl)ethanone
CID 565427
1-(2-Methyl-1H-imidazol-5-yl)ethan-1-one
CID 13058848
Ethanone, 1-[2-(trifluoromethyl)-1H-imidazol-5-yl]-
CID 13483388
2-ethyl-1H-imidazole-5-carbaldehyde
CID 2737421
1-(1-methyl-1H-imidazol-4-yl)ethan-1-one
CID 23143467

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone (CID 13483384) is 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone is CC(=O)c1cnc(C(C)(C)C)[nH]1.
What is the InChIKey of 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone?
The InChIKey is UQDJKZBQJNZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(12)7-5-10-8(11-7)9(2,3)4/h5H,1-4H3,(H,10,11).
What are the key properties of 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone?
1-(2-tert-butyl-1H-imidazol-5-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1H-imidazol-5-yl)ethanone is sourced from PubChem (CID 13483384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).