1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

C17H19N3OS — CID 111818046

IUPAC1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCc1cccs1)NCCc1cc2ccccc2o1
InChIInChI=1S/C17H19N3OS/c18-17(20-10-8-15-5-3-11-22-15)19-9-7-14-12-13-4-1-2-6-16(13)21-14/h1-6,11-12H,7-10H2,(H3,18,19,20)
InChIKeyMRPAYCZNDFPCPU-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.18
Rot. Bonds6

About 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111818046) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111818046
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCc1cccs1)NCCc1cc2ccccc2o1
InChIInChI=1S/C17H19N3OS/c18-17(20-10-8-15-5-3-11-22-15)19-9-7-14-12-13-4-1-2-6-16(13)21-14/h1-6,11-12H,7-10H2,(H3,18,19,20)
InChIKeyMRPAYCZNDFPCPU-UHFFFAOYSA-N
XLogP3.18
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(1-benzofuran-2-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111818113
2-[2-(1-benzofuran-2-yl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111818054
1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 166212107
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111044377
1-[2-(1-benzofuran-2-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111818100
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111813830
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111091206
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111818088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (CID 111818046) is 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CCc1cccs1)NCCc1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is MRPAYCZNDFPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-17(20-10-8-15-5-3-11-22-15)19-9-7-14-12-13-4-1-2-6-16(13)21-14/h1-6,11-12H,7-10H2,(H3,18,19,20).
What are the key properties of 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 313.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111818046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).