2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine

C24H26N4O — CID 110051614

IUPAC2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine
SMILESc1ccc(C/N=C(/NCCc2cc3ccccc3[nH]2)NCCc2ccco2)cc1
InChIInChI=1S/C24H26N4O/c1-2-7-19(8-3-1)18-27-24(26-15-13-22-10-6-16-29-22)25-14-12-21-17-20-9-4-5-11-23(20)28-21/h1-11,16-17,28H,12-15,18H2,(H2,25,26,27)
InChIKeyJIQTYRQEKRANDA-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.28
Rot. Bonds8

About 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine

2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine (PubChem CID 110051614) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine
PubChem CID110051614
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine
SMILESc1ccc(C/N=C(/NCCc2cc3ccccc3[nH]2)NCCc2ccco2)cc1
InChIInChI=1S/C24H26N4O/c1-2-7-19(8-3-1)18-27-24(26-15-13-22-10-6-16-29-22)25-14-12-21-17-20-9-4-5-11-23(20)28-21/h1-11,16-17,28H,12-15,18H2,(H2,25,26,27)
InChIKeyJIQTYRQEKRANDA-UHFFFAOYSA-N
XLogP4.28
TPSA65.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.28
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'}

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine
CID 110052964
1-[2-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine
CID 111356692
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(6-hydroxyhexyl)guanidine;hydroiodide
CID 110052755
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine
CID 110051232
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187993
2-benzyl-1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110059651
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-hydroxy-2-(3-methylphenyl)ethyl]guanidine
CID 110050472
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111711473
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]guanidine
CID 110060128
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(3-methylphenyl)methyl]guanidine
CID 111355286
1-[2-(furan-2-yl)ethyl]-3-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 111491358

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine?
The IUPAC name of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine (CID 110051614) is 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine?
The canonical SMILES for 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine is c1ccc(C/N=C(/NCCc2cc3ccccc3[nH]2)NCCc2ccco2)cc1.
What is the InChIKey of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine?
The InChIKey is JIQTYRQEKRANDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-7-19(8-3-1)18-27-24(26-15-13-22-10-6-16-29-22)25-14-12-21-17-20-9-4-5-11-23(20)28-21/h1-11,16-17,28H,12-15,18H2,(H2,25,26,27).
What are the key properties of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine?
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine has a molecular weight of 386.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[2-(1H-indol-2-yl)ethyl]guanidine is sourced from PubChem (CID 110051614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).