1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide

C18H24FIN6 — CID 111972685

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCn1ccnc1)NCCc1c[nH]c2ccc(F)cc12.I
InChIInChI=1S/C18H23FN6.HI/c1-20-18(22-6-2-9-25-10-8-21-13-25)23-7-5-14-12-24-17-4-3-15(19)11-16(14)17;/h3-4,8,10-13,24H,2,5-7,9H2,1H3,(H2,20,22,23);1H
InChIKeyQZECYWXLAFJPKF-UHFFFAOYSA-N
MW470.33 g/mol
LogP2.92
Rot. Bonds7

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 111972685) has the molecular formula C18H24FIN6 and a molecular weight of 470.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
PubChem CID111972685
Molecular FormulaC18H24FIN6
Molecular Weight470.33 g/mol
Exact Mass470.11
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCn1ccnc1)NCCc1c[nH]c2ccc(F)cc12.I
InChIInChI=1S/C18H23FN6.HI/c1-20-18(22-6-2-9-25-10-8-21-13-25)23-7-5-14-12-24-17-4-3-15(19)11-16(14)17;/h3-4,8,10-13,24H,2,5-7,9H2,1H3,(H2,20,22,23);1H
InChIKeyQZECYWXLAFJPKF-UHFFFAOYSA-N
XLogP2.92
TPSA70.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;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-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111788208
1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972056
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111888866
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111972146
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111972171
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111544590
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111972569
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111788823
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111973165
1-tert-butyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111547136
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 56791805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide (CID 111972685) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCCn1ccnc1)NCCc1c[nH]c2ccc(F)cc12.I.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is QZECYWXLAFJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6.HI/c1-20-18(22-6-2-9-25-10-8-21-13-25)23-7-5-14-12-24-17-4-3-15(19)11-16(14)17;/h3-4,8,10-13,24H,2,5-7,9H2,1H3,(H2,20,22,23);1H.
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 470.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111972685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).