3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride

C11H14ClN3O — CID 11694388

IUPAC3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-n2ccnc2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-3-9-6-10(8(2)13-11(9)15)14-5-4-12-7-14;/h4-7H,3H2,1-2H3,(H,13,15);1H
InChIKeyKIEKYHRYDBDNDZ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.85
Rot. Bonds2

About 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride

3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 11694388) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID11694388
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-n2ccnc2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-3-9-6-10(8(2)13-11(9)15)14-5-4-12-7-14;/h4-7H,3H2,1-2H3,(H,13,15);1H
InChIKeyKIEKYHRYDBDNDZ-UHFFFAOYSA-N
XLogP1.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride (CID 11694388) is 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride is CCc1cc(-n2ccnc2)c(C)[nH]c1=O.Cl.
What is the InChIKey of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is KIEKYHRYDBDNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-3-9-6-10(8(2)13-11(9)15)14-5-4-12-7-14;/h4-7H,3H2,1-2H3,(H,13,15);1H.
What are the key properties of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride?
3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 11694388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).