2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

C17H21N3O — CID 116609325

IUPAC2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C17H21N3O/c1-2-8-20-9-7-19-17(20)11-16(21)14-4-3-13-5-6-18-12-15(13)10-14/h3-4,7,9-10,18H,2,5-6,8,11-12H2,1H3
InChIKeyLOWONLIOBKKFIH-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.36
Rot. Bonds5

About 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (PubChem CID 116609325) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
PubChem CID116609325
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C17H21N3O/c1-2-8-20-9-7-19-17(20)11-16(21)14-4-3-13-5-6-18-12-15(13)10-14/h3-4,7,9-10,18H,2,5-6,8,11-12H2,1H3
InChIKeyLOWONLIOBKKFIH-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone 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-(1,2,3,4-tetrahydroisoquinolin-7-yl)propan-1-one
CID 114533369
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609303
2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609415
2-(3,5-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609213
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784807
N,N-bis[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 67163688
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 79744288
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pent-4-en-1-one
CID 114478071

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The IUPAC name of 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (CID 116609325) is 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The canonical SMILES for 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is CCCn1ccnc1CC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The InChIKey is LOWONLIOBKKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-8-20-9-7-19-17(20)11-16(21)14-4-3-13-5-6-18-12-15(13)10-14/h3-4,7,9-10,18H,2,5-6,8,11-12H2,1H3.
What are the key properties of 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone has a molecular weight of 283.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is sourced from PubChem (CID 116609325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).