2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine

C10H9ClN4O — CID 175711772

IUPAC2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(Cl)ccc2occc12
InChIInChI=1S/C10H9ClN4O/c11-8-1-2-9-6(3-4-16-9)7(8)5-14-15-10(12)13/h1-5H,(H4,12,13,15)
InChIKeyZNXJULIZKGKDLR-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.69
Rot. Bonds2

About 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine

2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine (PubChem CID 175711772) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine
PubChem CID175711772
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(Cl)ccc2occc12
InChIInChI=1S/C10H9ClN4O/c11-8-1-2-9-6(3-4-16-9)7(8)5-14-15-10(12)13/h1-5H,(H4,12,13,15)
InChIKeyZNXJULIZKGKDLR-UHFFFAOYSA-N
XLogP1.69
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine (CID 175711772) is 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine is NC(N)=NN=Cc1c(Cl)ccc2occc12.
What is the InChIKey of 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine?
The InChIKey is ZNXJULIZKGKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-1-2-9-6(3-4-16-9)7(8)5-14-15-10(12)13/h1-5H,(H4,12,13,15).
What are the key properties of 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine?
2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine has a molecular weight of 236.66 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine is sourced from PubChem (CID 175711772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).