4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one

C11H16N2O — CID 116880941

IUPAC4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
SMILESCC(=O)CCc1ncc(C2CCC2)[nH]1
InChIInChI=1S/C11H16N2O/c1-8(14)5-6-11-12-7-10(13-11)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyWWSBXFVORKDELE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.20
Rot. Bonds4

About 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one

4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one (PubChem CID 116880941) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
PubChem CID116880941
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
SMILESCC(=O)CCc1ncc(C2CCC2)[nH]1
InChIInChI=1S/C11H16N2O/c1-8(14)5-6-11-12-7-10(13-11)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyWWSBXFVORKDELE-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(5-cyclohexyl-1H-imidazol-2-yl)propanoate
CID 116880459
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
CID 116879366
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977
4-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-2-one
CID 116880866
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
CID 123292671
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312
N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 114998469
4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
CID 116901689
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877282
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one?
The IUPAC name of 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one (CID 116880941) is 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one.
What is the SMILES notation for 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one?
The canonical SMILES for 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one is CC(=O)CCc1ncc(C2CCC2)[nH]1.
What is the InChIKey of 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one?
The InChIKey is WWSBXFVORKDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(14)5-6-11-12-7-10(13-11)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one?
4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one is sourced from PubChem (CID 116880941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).