1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one

C16H20N2O — CID 20518561

IUPAC1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
SMILESCCCCc1ccc(C(=O)CCn2ccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-2-3-4-14-5-7-15(8-6-14)16(19)9-11-18-12-10-17-13-18/h5-8,10,12-13H,2-4,9,11H2,1H3
InChIKeyYLTNYNNIJRYSIX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.50
Rot. Bonds7

About 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one

1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one (PubChem CID 20518561) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
PubChem CID20518561
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
SMILESCCCCc1ccc(C(=O)CCn2ccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-2-3-4-14-5-7-15(8-6-14)16(19)9-11-18-12-10-17-13-18/h5-8,10,12-13H,2-4,9,11H2,1H3
InChIKeyYLTNYNNIJRYSIX-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
CID 3058924
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 19078351
carbonic acid;1-dodecylimidazole
CID 175596781
imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
CID 15951830
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
6-bromo-1-(4-butylphenyl)hexan-1-one
CID 146005459
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one (CID 20518561) is 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one is CCCCc1ccc(C(=O)CCn2ccnc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one?
The InChIKey is YLTNYNNIJRYSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-3-4-14-5-7-15(8-6-14)16(19)9-11-18-12-10-17-13-18/h5-8,10,12-13H,2-4,9,11H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one?
1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 20518561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).