2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride

C10H19ClN2O — CID 21466583

IUPAC2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride
SMILESCCCCC1=NC(C)(CC)C(=O)N1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-4-6-7-8-11-9(13)10(3,5-2)12-8;/h4-7H2,1-3H3,(H,11,12,13);1H
InChIKeyJXQSJDSYLRFBEE-UHFFFAOYSA-N
MW218.73 g/mol
LogP2.30
Rot. Bonds4

About 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride

2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride (PubChem CID 21466583) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride
PubChem CID21466583
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride
SMILESCCCCC1=NC(C)(CC)C(=O)N1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-4-6-7-8-11-9(13)10(3,5-2)12-8;/h4-7H2,1-3H3,(H,11,12,13);1H
InChIKeyJXQSJDSYLRFBEE-UHFFFAOYSA-N
XLogP2.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride?
The IUPAC name of 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride (CID 21466583) is 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride?
The canonical SMILES for 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride is CCCCC1=NC(C)(CC)C(=O)N1.Cl.
What is the InChIKey of 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride?
The InChIKey is JXQSJDSYLRFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-4-6-7-8-11-9(13)10(3,5-2)12-8;/h4-7H2,1-3H3,(H,11,12,13);1H.
What are the key properties of 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride?
2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 21466583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).