2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride

C12H13ClN4O — CID 127025603

IUPAC2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H12N4O.ClH/c13-12(14)16-15-8-10-6-7-11(17-10)9-4-2-1-3-5-9;/h1-8H,(H4,13,14,16);1H/b15-8+;
InChIKeyIGNVBMZWWABVFD-TWNLEINFSA-N
MW264.72 g/mol
LogP1.98
Rot. Bonds3

About 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride

2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 127025603) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride
PubChem CID127025603
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H12N4O.ClH/c13-12(14)16-15-8-10-6-7-11(17-10)9-4-2-1-3-5-9;/h1-8H,(H4,13,14,16);1H/b15-8+;
InChIKeyIGNVBMZWWABVFD-TWNLEINFSA-N
XLogP1.98
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.98
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

({[5-(4-Chlorophenyl)furan-2-yl]methylidene}amino)urea
CID 9563572
(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinecarbothioamide
CID 5337698
[[5-(p-Tolyl)-2-furyl]methyleneamino]thiourea
CID 6882801
5-Phenyl-2-furaldehyde semicarbazone
CID 6862724
[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 5344052
2-Furaldehyde, 5-phenyl-, oxime
CID 5412191
2-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine;hydrochloride
CID 44542327
2-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine
CID 44542328
2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine
CID 44542324
2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine
CID 44542326
Furamidine Dihydrochloride
CID 24198848
2-[[5-[4-Bromo-2-(trifluoromethyl)phenyl]-2-furanyl]methylene]-hydrazinecarboximidamide
CID 60168134

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride (CID 127025603) is 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is IGNVBMZWWABVFD-TWNLEINFSA-N. The full InChI is InChI=1S/C12H12N4O.ClH/c13-12(14)16-15-8-10-6-7-11(17-10)9-4-2-1-3-5-9;/h1-8H,(H4,13,14,16);1H/b15-8+;.
What are the key properties of 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 264.72 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-phenylfuran-2-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 127025603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).