N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C15H20FIN4 — CID 120972220

IUPACN-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCc1cn(C)c2cc(F)ccc12.I
InChIInChI=1S/C15H19FN4.HI/c1-19-8-7-18-15(19)17-6-5-11-10-20(2)14-9-12(16)3-4-13(11)14;/h3-4,9-10H,5-8H2,1-2H3,(H,17,18);1H
InChIKeyUICKFFLWVSQWGJ-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.37
Rot. Bonds3

About N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972220) has the molecular formula C15H20FIN4 and a molecular weight of 402.26 g/mol. Its IUPAC name is N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972220
Molecular FormulaC15H20FIN4
Molecular Weight402.26 g/mol
Exact Mass402.07
IUPAC NameN-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCc1cn(C)c2cc(F)ccc12.I
InChIInChI=1S/C15H19FN4.HI/c1-19-8-7-18-15(19)17-6-5-11-10-20(2)14-9-12(16)3-4-13(11)14;/h3-4,9-10H,5-8H2,1-2H3,(H,17,18);1H
InChIKeyUICKFFLWVSQWGJ-UHFFFAOYSA-N
XLogP2.37
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide 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 N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972220) is N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCCc1cn(C)c2cc(F)ccc12.I.
What is the InChIKey of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is UICKFFLWVSQWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4.HI/c1-19-8-7-18-15(19)17-6-5-11-10-20(2)14-9-12(16)3-4-13(11)14;/h3-4,9-10H,5-8H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 402.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).