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

C8H13ClN2O — CID 165467779

IUPAC1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride
SMILESCCCCC(=O)c1cnc[nH]1.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-2-3-4-8(11)7-5-9-6-10-7;/h5-6H,2-4H2,1H3,(H,9,10);1H
InChIKeyMENILQZOQMDGEC-UHFFFAOYSA-N
MW188.66 g/mol
LogP2.20
Rot. Bonds4

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

1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride (PubChem CID 165467779) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride
PubChem CID165467779
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride
SMILESCCCCC(=O)c1cnc[nH]1.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-2-3-4-8(11)7-5-9-6-10-7;/h5-6H,2-4H2,1H3,(H,9,10);1H
InChIKeyMENILQZOQMDGEC-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 52.20
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;hydrochloride?
The IUPAC name of 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride (CID 165467779) is 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride is CCCCC(=O)c1cnc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride?
The InChIKey is MENILQZOQMDGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-2-3-4-8(11)7-5-9-6-10-7;/h5-6H,2-4H2,1H3,(H,9,10);1H.
What are the key properties of 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride?
1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride has a molecular weight of 188.66 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 1-(1H-imidazol-5-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 165467779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).