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

C9H14N2O — CID 13177012

IUPAC1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone
SMILESCCCc1nc(C(C)=O)c(C)[nH]1
InChIInChI=1S/C9H14N2O/c1-4-5-8-10-6(2)9(11-8)7(3)12/h4-5H2,1-3H3,(H,10,11)
InChIKeyWXFQRFAPEICWRJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds3

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

1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone (PubChem CID 13177012) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone
PubChem CID13177012
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone
SMILESCCCc1nc(C(C)=O)c(C)[nH]1
InChIInChI=1S/C9H14N2O/c1-4-5-8-10-6(2)9(11-8)7(3)12/h4-5H2,1-3H3,(H,10,11)
InChIKeyWXFQRFAPEICWRJ-UHFFFAOYSA-N
XLogP1.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
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)ethanone?
The IUPAC name of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone (CID 13177012) is 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone is CCCc1nc(C(C)=O)c(C)[nH]1.
What is the InChIKey of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone?
The InChIKey is WXFQRFAPEICWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-10-6(2)9(11-8)7(3)12/h4-5H2,1-3H3,(H,10,11).
What are the key properties of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone?
1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.87, 3 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)ethanone is sourced from PubChem (CID 13177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).