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

C11H18N2O — CID 13314355

IUPAC1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one
SMILESCCCC(=O)c1nc(CCC)[nH]c1C
InChIInChI=1S/C11H18N2O/c1-4-6-9(14)11-8(3)12-10(13-11)7-5-2/h4-7H2,1-3H3,(H,12,13)
InChIKeyCIUXEJNRPUOAMT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.65
Rot. Bonds5

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

1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one (PubChem CID 13314355) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one
PubChem CID13314355
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one
SMILESCCCC(=O)c1nc(CCC)[nH]c1C
InChIInChI=1S/C11H18N2O/c1-4-6-9(14)11-8(3)12-10(13-11)7-5-2/h4-7H2,1-3H3,(H,12,13)
InChIKeyCIUXEJNRPUOAMT-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one?
The IUPAC name of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one (CID 13314355) is 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one.
What is the SMILES notation for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one?
The canonical SMILES for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one is CCCC(=O)c1nc(CCC)[nH]c1C.
What is the InChIKey of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one?
The InChIKey is CIUXEJNRPUOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-6-9(14)11-8(3)12-10(13-11)7-5-2/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one?
1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one has a molecular weight of 194.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one is sourced from PubChem (CID 13314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).