1-(1H-imidazol-5-yl)pentan-1-one

C8H12N2O — CID 573558

IUPAC1-(1H-imidazol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1cnc[nH]1
InChIInChI=1S/C8H12N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyCJOFPRAZWGYALB-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.78
Rot. Bonds4

About 1-(1H-imidazol-5-yl)pentan-1-one

1-(1H-imidazol-5-yl)pentan-1-one (PubChem CID 573558) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)pentan-1-one
PubChem CID573558
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1H-imidazol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1cnc[nH]1
InChIInChI=1S/C8H12N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyCJOFPRAZWGYALB-UHFFFAOYSA-N
XLogP1.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)pentan-1-one?
The IUPAC name of 1-(1H-imidazol-5-yl)pentan-1-one (CID 573558) is 1-(1H-imidazol-5-yl)pentan-1-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)pentan-1-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)pentan-1-one is CCCCC(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)pentan-1-one?
The InChIKey is CJOFPRAZWGYALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 1-(1H-imidazol-5-yl)pentan-1-one?
1-(1H-imidazol-5-yl)pentan-1-one has a molecular weight of 152.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)pentan-1-one is sourced from PubChem (CID 573558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).