1,2-diphenylguanidine

C13H13N3 — CID 7594

IUPAC1,2-diphenylguanidine
SMILESN/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
InChIKeyOWRCNXZUPFZXOS-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.74
Rot. Bonds2

About 1,2-diphenylguanidine

1,2-diphenylguanidine (PubChem CID 7594) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,2-diphenylguanidine.

Molecular Properties

Compound Name1,2-diphenylguanidine
PubChem CID7594
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,2-diphenylguanidine
SMILESN/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
InChIKeyOWRCNXZUPFZXOS-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,2-diphenylguanidine?
The IUPAC name of 1,2-diphenylguanidine (CID 7594) is 1,2-diphenylguanidine.
What is the SMILES notation for 1,2-diphenylguanidine?
The canonical SMILES for 1,2-diphenylguanidine is N/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1,2-diphenylguanidine?
The InChIKey is OWRCNXZUPFZXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16).
What are the key properties of 1,2-diphenylguanidine?
1,2-diphenylguanidine has a molecular weight of 211.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylguanidine is sourced from PubChem (CID 7594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).