1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

C19H25IN4O — CID 110938671

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)NCCc1c[nH]c2cccc(C)c12.I
InChIInChI=1S/C19H24N4O.HI/c1-3-20-19(23-13-16-7-5-11-24-16)21-10-9-15-12-22-17-8-4-6-14(2)18(15)17;/h4-8,11-12,22H,3,9-10,13H2,1-2H3,(H2,20,21,23);1H
InChIKeyDYNHITRATHHFQB-UHFFFAOYSA-N
MW452.34 g/mol
LogP3.99
Rot. Bonds6

About 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 110938671) has the molecular formula C19H25IN4O and a molecular weight of 452.34 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID110938671
Molecular FormulaC19H25IN4O
Molecular Weight452.34 g/mol
Exact Mass452.11
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)NCCc1c[nH]c2cccc(C)c12.I
InChIInChI=1S/C19H24N4O.HI/c1-3-20-19(23-13-16-7-5-11-24-16)21-10-9-15-12-22-17-8-4-6-14(2)18(15)17;/h4-8,11-12,22H,3,9-10,13H2,1-2H3,(H2,20,21,23);1H
InChIKeyDYNHITRATHHFQB-UHFFFAOYSA-N
XLogP3.99
TPSA65.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907587
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111202119
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111400164
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111629471
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111708309
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111521700
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 109419875
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111671446
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide
CID 111129462
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111635179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 110938671) is 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccco1)NCCc1c[nH]c2cccc(C)c12.I.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is DYNHITRATHHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.HI/c1-3-20-19(23-13-16-7-5-11-24-16)21-10-9-15-12-22-17-8-4-6-14(2)18(15)17;/h4-8,11-12,22H,3,9-10,13H2,1-2H3,(H2,20,21,23);1H.
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 452.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110938671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).