2-anilino-1-benzylideneguanidine

C14H14N4 — CID 172953173

IUPAC2-anilino-1-benzylideneguanidine
SMILESN/C(N=Cc1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C14H14N4/c15-14(16-11-12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-11,17H,(H2,15,18)
InChIKeyWOOUQECBTOLDRX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.45
Rot. Bonds3

About 2-anilino-1-benzylideneguanidine

2-anilino-1-benzylideneguanidine (PubChem CID 172953173) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-anilino-1-benzylideneguanidine.

Molecular Properties

Compound Name2-anilino-1-benzylideneguanidine
PubChem CID172953173
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-anilino-1-benzylideneguanidine
SMILESN/C(N=Cc1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C14H14N4/c15-14(16-11-12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-11,17H,(H2,15,18)
InChIKeyWOOUQECBTOLDRX-UHFFFAOYSA-N
XLogP2.45
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-anilino-1-benzylideneguanidine?
The IUPAC name of 2-anilino-1-benzylideneguanidine (CID 172953173) is 2-anilino-1-benzylideneguanidine.
What is the SMILES notation for 2-anilino-1-benzylideneguanidine?
The canonical SMILES for 2-anilino-1-benzylideneguanidine is N/C(N=Cc1ccccc1)=N\Nc1ccccc1.
What is the InChIKey of 2-anilino-1-benzylideneguanidine?
The InChIKey is WOOUQECBTOLDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-14(16-11-12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-11,17H,(H2,15,18).
What are the key properties of 2-anilino-1-benzylideneguanidine?
2-anilino-1-benzylideneguanidine has a molecular weight of 238.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-benzylideneguanidine is sourced from PubChem (CID 172953173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).