2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one

C15H18N2O — CID 114528615

IUPAC2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
SMILESCC(CCc1nccn1C)C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-12(8-9-14-16-10-11-17(14)2)15(18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyBEAXKSLFMHVMQP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one

2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one (PubChem CID 114528615) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
PubChem CID114528615
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
SMILESCC(CCc1nccn1C)C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-12(8-9-14-16-10-11-17(14)2)15(18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyBEAXKSLFMHVMQP-UHFFFAOYSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-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

3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
CID 114532954
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
CID 115811755
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one?
The IUPAC name of 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one (CID 114528615) is 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one?
The canonical SMILES for 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one is CC(CCc1nccn1C)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one?
The InChIKey is BEAXKSLFMHVMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(8-9-14-16-10-11-17(14)2)15(18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one?
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 114528615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).