2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine

C22H26N6O — CID 71679271

IUPAC2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine
SMILESNC(N)=NCCc1cccc(-c2ccc(-c3cccc(CCN=C(N)N)c3)o2)c1
InChIInChI=1S/C22H26N6O/c23-21(24)27-11-9-15-3-1-5-17(13-15)19-7-8-20(29-19)18-6-2-4-16(14-18)10-12-28-22(25)26/h1-8,13-14H,9-12H2,(H4,23,24,27)(H4,25,26,28)
InChIKeyZWKCJMKNENHSDT-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.25
Rot. Bonds8

About 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine

2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine (PubChem CID 71679271) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine
PubChem CID71679271
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine
SMILESNC(N)=NCCc1cccc(-c2ccc(-c3cccc(CCN=C(N)N)c3)o2)c1
InChIInChI=1S/C22H26N6O/c23-21(24)27-11-9-15-3-1-5-17(13-15)19-7-8-20(29-19)18-6-2-4-16(14-18)10-12-28-22(25)26/h1-8,13-14H,9-12H2,(H4,23,24,27)(H4,25,26,28)
InChIKeyZWKCJMKNENHSDT-UHFFFAOYSA-N
XLogP2.25
TPSA141.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.25
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine?
The IUPAC name of 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine (CID 71679271) is 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine?
The canonical SMILES for 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine is NC(N)=NCCc1cccc(-c2ccc(-c3cccc(CCN=C(N)N)c3)o2)c1.
What is the InChIKey of 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine?
The InChIKey is ZWKCJMKNENHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-21(24)27-11-9-15-3-1-5-17(13-15)19-7-8-20(29-19)18-6-2-4-16(14-18)10-12-28-22(25)26/h1-8,13-14H,9-12H2,(H4,23,24,27)(H4,25,26,28).
What are the key properties of 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine?
2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine has a molecular weight of 390.49 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]furan-2-yl]phenyl]ethyl]guanidine is sourced from PubChem (CID 71679271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).