2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine

C26H34ClN5O2 — CID 69170073

IUPAC2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
SMILESNC(N)=NCCN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)coc3c2)CC1
InChIInChI=1S/C26H34ClN5O2/c27-21-6-4-20(5-7-21)24-19-34-25-18-22(8-9-23(24)25)33-17-3-1-2-11-31-13-15-32(16-14-31)12-10-30-26(28)29/h4-9,18-19H,1-3,10-17H2,(H4,28,29,30)
InChIKeyNVOMWKADJVNXTJ-UHFFFAOYSA-N
MW484.04 g/mol
LogP4.19
Rot. Bonds11

About 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine

2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine (PubChem CID 69170073) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
PubChem CID69170073
Molecular FormulaC26H34ClN5O2
Molecular Weight484.04 g/mol
Exact Mass483.24
IUPAC Name2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
SMILESNC(N)=NCCN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)coc3c2)CC1
InChIInChI=1S/C26H34ClN5O2/c27-21-6-4-20(5-7-21)24-19-34-25-18-22(8-9-23(24)25)33-17-3-1-2-11-31-13-15-32(16-14-31)12-10-30-26(28)29/h4-9,18-19H,1-3,10-17H2,(H4,28,29,30)
InChIKeyNVOMWKADJVNXTJ-UHFFFAOYSA-N
XLogP4.19
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-ethylacetamide
CID 25065860
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 25065250
2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064629
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064630
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468
3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-7-hydroxychromen-4-one
CID 54759747
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide
CID 69171438

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine?
The IUPAC name of 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine (CID 69170073) is 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine?
The canonical SMILES for 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine is NC(N)=NCCN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)coc3c2)CC1.
What is the InChIKey of 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine?
The InChIKey is NVOMWKADJVNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN5O2/c27-21-6-4-20(5-7-21)24-19-34-25-18-22(8-9-23(24)25)33-17-3-1-2-11-31-13-15-32(16-14-31)12-10-30-26(28)29/h4-9,18-19H,1-3,10-17H2,(H4,28,29,30).
What are the key properties of 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine?
2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine has a molecular weight of 484.04 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine is sourced from PubChem (CID 69170073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).