3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide

C16H25IN4O — CID 3063152

IUPAC3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
SMILESCCN(CC)CCC(=O)c1ccc(NC2=NCCN2)cc1.I
InChIInChI=1S/C16H24N4O.HI/c1-3-20(4-2)12-9-15(21)13-5-7-14(8-6-13)19-16-17-10-11-18-16;/h5-8H,3-4,9-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyZIANONAFXBDXMD-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.59
Rot. Bonds7

About 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide

3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide (PubChem CID 3063152) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide.

Molecular Properties

Compound Name3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
PubChem CID3063152
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC Name3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
SMILESCCN(CC)CCC(=O)c1ccc(NC2=NCCN2)cc1.I
InChIInChI=1S/C16H24N4O.HI/c1-3-20(4-2)12-9-15(21)13-5-7-14(8-6-13)19-16-17-10-11-18-16;/h5-8H,3-4,9-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyZIANONAFXBDXMD-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide 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-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
CID 18470010
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
CID 18469982
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880352
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
CID 158896039
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide?
The IUPAC name of 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide (CID 3063152) is 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide.
What is the SMILES notation for 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide?
The canonical SMILES for 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide is CCN(CC)CCC(=O)c1ccc(NC2=NCCN2)cc1.I.
What is the InChIKey of 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide?
The InChIKey is ZIANONAFXBDXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c1-3-20(4-2)12-9-15(21)13-5-7-14(8-6-13)19-16-17-10-11-18-16;/h5-8H,3-4,9-12H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide?
3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide is sourced from PubChem (CID 3063152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).