1-phenyl-1-(N-phenylanilino)guanidine

C19H18N4 — CID 68911942

IUPAC1-phenyl-1-(N-phenylanilino)guanidine
SMILES[H]/N=C(\N)N(c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N4/c20-19(21)23(18-14-8-3-9-15-18)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H3,20,21)
InChIKeyXTXOYQUARAKTKM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.14
Rot. Bonds4

About 1-phenyl-1-(N-phenylanilino)guanidine

1-phenyl-1-(N-phenylanilino)guanidine (PubChem CID 68911942) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-phenyl-1-(N-phenylanilino)guanidine.

Molecular Properties

Compound Name1-phenyl-1-(N-phenylanilino)guanidine
PubChem CID68911942
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-phenyl-1-(N-phenylanilino)guanidine
SMILES[H]/N=C(\N)N(c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N4/c20-19(21)23(18-14-8-3-9-15-18)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H3,20,21)
InChIKeyXTXOYQUARAKTKM-UHFFFAOYSA-N
XLogP4.14
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.14
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 1-phenyl-1-(N-phenylanilino)guanidine?
The IUPAC name of 1-phenyl-1-(N-phenylanilino)guanidine (CID 68911942) is 1-phenyl-1-(N-phenylanilino)guanidine.
What is the SMILES notation for 1-phenyl-1-(N-phenylanilino)guanidine?
The canonical SMILES for 1-phenyl-1-(N-phenylanilino)guanidine is [H]/N=C(\N)N(c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(N-phenylanilino)guanidine?
The InChIKey is XTXOYQUARAKTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c20-19(21)23(18-14-8-3-9-15-18)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H3,20,21).
What are the key properties of 1-phenyl-1-(N-phenylanilino)guanidine?
1-phenyl-1-(N-phenylanilino)guanidine has a molecular weight of 302.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(N-phenylanilino)guanidine is sourced from PubChem (CID 68911942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).