1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one

C17H22N2O — CID 79744738

IUPAC1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-19-9-7-18-17(19)12-16(20)11-15-6-5-13(2)14(3)10-15/h5-7,9-10H,4,8,11-12H2,1-3H3
InChIKeyMPGWHEDYBKYUJD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.26
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one

1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one (PubChem CID 79744738) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
PubChem CID79744738
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-19-9-7-18-17(19)12-16(20)11-15-6-5-13(2)14(3)10-15/h5-7,9-10H,4,8,11-12H2,1-3H3
InChIKeyMPGWHEDYBKYUJD-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-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-(3-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79743617
2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 63975634
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116659612
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one (CID 79744738) is 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one is CCCn1ccnc1CC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
The InChIKey is MPGWHEDYBKYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-8-19-9-7-18-17(19)12-16(20)11-15-6-5-13(2)14(3)10-15/h5-7,9-10H,4,8,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one?
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 79744738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).