3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one

C16H20N2O — CID 105100680

IUPAC3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1ccnc1C(=O)CCc1ccccc1C
InChIInChI=1S/C16H20N2O/c1-3-11-18-12-10-17-16(18)15(19)9-8-14-7-5-4-6-13(14)2/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyWBNVQBCWURZNCX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.42
Rot. Bonds6

About 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one

3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one (PubChem CID 105100680) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
PubChem CID105100680
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1ccnc1C(=O)CCc1ccccc1C
InChIInChI=1S/C16H20N2O/c1-3-11-18-12-10-17-16(18)15(19)9-8-14-7-5-4-6-13(14)2/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyWBNVQBCWURZNCX-UHFFFAOYSA-N
XLogP3.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one (CID 105100680) is 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one is CCCn1ccnc1C(=O)CCc1ccccc1C.
What is the InChIKey of 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
The InChIKey is WBNVQBCWURZNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-11-18-12-10-17-16(18)15(19)9-8-14-7-5-4-6-13(14)2/h4-7,10,12H,3,8-9,11H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 105100680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).