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

C14H19ClN2O — CID 21466586

IUPAC2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
SMILESCCCCC1=NC(C)(c2ccccc2)C(=O)N1.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-3-4-10-12-15-13(17)14(2,16-12)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H,15,16,17);1H
InChIKeyNZMABTLESRJVRJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.04
Rot. Bonds4

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

2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride (PubChem CID 21466586) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
PubChem CID21466586
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
SMILESCCCCC1=NC(C)(c2ccccc2)C(=O)N1.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-3-4-10-12-15-13(17)14(2,16-12)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H,15,16,17);1H
InChIKeyNZMABTLESRJVRJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride?
The IUPAC name of 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride (CID 21466586) is 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride?
The canonical SMILES for 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride is CCCCC1=NC(C)(c2ccccc2)C(=O)N1.Cl.
What is the InChIKey of 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride?
The InChIKey is NZMABTLESRJVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-3-4-10-12-15-13(17)14(2,16-12)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H,15,16,17);1H.
What are the key properties of 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride?
2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 21466586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).