1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one

C22H24N2O — CID 123738384

IUPAC1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one
SMILESCc1cccc(C(C)c2cnc(C(=O)CCc3ccccc3)[nH]2)c1C
InChIInChI=1S/C22H24N2O/c1-15-8-7-11-19(16(15)2)17(3)20-14-23-22(24-20)21(25)13-12-18-9-5-4-6-10-18/h4-11,14,17H,12-13H2,1-3H3,(H,23,24)
InChIKeyITDQWSLTXKRCBB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.99
Rot. Bonds6

About 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one

1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one (PubChem CID 123738384) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one
PubChem CID123738384
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one
SMILESCc1cccc(C(C)c2cnc(C(=O)CCc3ccccc3)[nH]2)c1C
InChIInChI=1S/C22H24N2O/c1-15-8-7-11-19(16(15)2)17(3)20-14-23-22(24-20)21(25)13-12-18-9-5-4-6-10-18/h4-11,14,17H,12-13H2,1-3H3,(H,23,24)
InChIKeyITDQWSLTXKRCBB-UHFFFAOYSA-N
XLogP4.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-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 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one (CID 123738384) is 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one is Cc1cccc(C(C)c2cnc(C(=O)CCc3ccccc3)[nH]2)c1C.
What is the InChIKey of 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one?
The InChIKey is ITDQWSLTXKRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-8-7-11-19(16(15)2)17(3)20-14-23-22(24-20)21(25)13-12-18-9-5-4-6-10-18/h4-11,14,17H,12-13H2,1-3H3,(H,23,24).
What are the key properties of 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one?
1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazol-2-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 123738384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).