2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide

C20H25IN4O — CID 136920589

IUPAC2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\CCc1ccco1)NCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C20H24N4O.HI/c1-2-11-21-20(23-13-10-17-6-5-14-25-17)22-12-9-16-15-24-19-8-4-3-7-18(16)19;/h2-8,14-15,24H,1,9-13H2,(H2,21,22,23);1H
InChIKeyBPLWLOQBZUVPEH-UHFFFAOYSA-N
MW464.35 g/mol
LogP3.89
Rot. Bonds8

About 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide

2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide (PubChem CID 136920589) has the molecular formula C20H25IN4O and a molecular weight of 464.35 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
PubChem CID136920589
Molecular FormulaC20H25IN4O
Molecular Weight464.35 g/mol
Exact Mass464.11
IUPAC Name2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\CCc1ccco1)NCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C20H24N4O.HI/c1-2-11-21-20(23-13-10-17-6-5-14-25-17)22-12-9-16-15-24-19-8-4-3-7-18(16)19;/h2-8,14-15,24H,1,9-13H2,(H2,21,22,23);1H
InChIKeyBPLWLOQBZUVPEH-UHFFFAOYSA-N
XLogP3.89
TPSA65.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 53.89
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(furan-2-yl)ethyl]-1-(2-phenylsulfanylethyl)-3-prop-2-enylguanidine;hydroiodide
CID 136920682
2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136701224
2-[2-(furan-2-yl)ethyl]-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136701246
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine
CID 136922975
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594
1-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111771350
1-[2-(furan-2-yl)ethyl]-2-(6-methylsulfanylhexyl)-3-prop-2-enylguanidine
CID 136701213
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-prop-2-enylguanidine;hydroiodide
CID 110982244
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide (CID 136920589) is 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\CCc1ccco1)NCCc1c[nH]c2ccccc12.I.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is BPLWLOQBZUVPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.HI/c1-2-11-21-20(23-13-10-17-6-5-14-25-17)22-12-9-16-15-24-19-8-4-3-7-18(16)19;/h2-8,14-15,24H,1,9-13H2,(H2,21,22,23);1H.
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide?
2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 464.35 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1-[2-(1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 136920589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).