1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine

C26H24N6 — CID 67554480

IUPAC1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine
SMILES[H]/N=C(\N)N(/C(=N/[H])N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N6/c27-25(28)32(31(23-17-9-3-10-18-23)24-19-11-4-12-20-24)26(29)30(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,29H,(H3,27,28)/b29-26+
InChIKeyYZEYZMOGNLRHNV-PBBVDAKRSA-N
MW420.52 g/mol
LogP5.71
Rot. Bonds5

About 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine

1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine (PubChem CID 67554480) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine
PubChem CID67554480
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine
SMILES[H]/N=C(\N)N(/C(=N/[H])N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N6/c27-25(28)32(31(23-17-9-3-10-18-23)24-19-11-4-12-20-24)26(29)30(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,29H,(H3,27,28)/b29-26+
InChIKeyYZEYZMOGNLRHNV-PBBVDAKRSA-N
XLogP5.71
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.71
H-Bond Donors ≤ 53
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 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine?
The IUPAC name of 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine (CID 67554480) is 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine.
What is the SMILES notation for 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine?
The canonical SMILES for 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine is [H]/N=C(\N)N(/C(=N/[H])N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine?
The InChIKey is YZEYZMOGNLRHNV-PBBVDAKRSA-N. The full InChI is InChI=1S/C26H24N6/c27-25(28)32(31(23-17-9-3-10-18-23)24-19-11-4-12-20-24)26(29)30(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,29H,(H3,27,28)/b29-26+.
What are the key properties of 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine?
1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine has a molecular weight of 420.52 g/mol, XLogP of 5.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine is sourced from PubChem (CID 67554480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).