1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one

C19H26N2O2 — CID 19813174

IUPAC1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one
SMILESCCCCc1cncn1CC(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C19H26N2O2/c1-3-4-7-17-13-20-15-21(17)14-18(22)8-5-6-16-9-11-19(23-2)12-10-16/h9-13,15H,3-8,14H2,1-2H3
InChIKeyJXHLMNVQLFHVHR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.83
Rot. Bonds10

About 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one

1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one (PubChem CID 19813174) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one
PubChem CID19813174
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one
SMILESCCCCc1cncn1CC(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C19H26N2O2/c1-3-4-7-17-13-20-15-21(17)14-18(22)8-5-6-16-9-11-19(23-2)12-10-16/h9-13,15H,3-8,14H2,1-2H3
InChIKeyJXHLMNVQLFHVHR-UHFFFAOYSA-N
XLogP3.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one?
The IUPAC name of 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one (CID 19813174) is 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one?
The canonical SMILES for 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one is CCCCc1cncn1CC(=O)CCCc1ccc(OC)cc1.
What is the InChIKey of 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one?
The InChIKey is JXHLMNVQLFHVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-7-17-13-20-15-21(17)14-18(22)8-5-6-16-9-11-19(23-2)12-10-16/h9-13,15H,3-8,14H2,1-2H3.
What are the key properties of 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one?
1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 19813174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).