2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine

C24H26N4 — CID 171357318

IUPAC2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccc(/C=N/N=C(N)N)cc3)c2)cc1
InChIInChI=1S/C24H26N4/c1-24(2,3)22-13-11-19(12-14-22)21-6-4-5-20(15-21)18-9-7-17(8-10-18)16-27-28-23(25)26/h4-16H,1-3H3,(H4,25,26,28)/b27-16+
InChIKeyLKSCKXBIHBGHEC-JVWAILMASA-N
MW370.50 g/mol
LogP4.93
Rot. Bonds4

About 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine

2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine (PubChem CID 171357318) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine
PubChem CID171357318
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccc(/C=N/N=C(N)N)cc3)c2)cc1
InChIInChI=1S/C24H26N4/c1-24(2,3)22-13-11-19(12-14-22)21-6-4-5-20(15-21)18-9-7-17(8-10-18)16-27-28-23(25)26/h4-16H,1-3H3,(H4,25,26,28)/b27-16+
InChIKeyLKSCKXBIHBGHEC-JVWAILMASA-N
XLogP4.93
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.93
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-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine (CID 171357318) is 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine is CC(C)(C)c1ccc(-c2cccc(-c3ccc(/C=N/N=C(N)N)cc3)c2)cc1.
What is the InChIKey of 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine?
The InChIKey is LKSCKXBIHBGHEC-JVWAILMASA-N. The full InChI is InChI=1S/C24H26N4/c1-24(2,3)22-13-11-19(12-14-22)21-6-4-5-20(15-21)18-9-7-17(8-10-18)16-27-28-23(25)26/h4-16H,1-3H3,(H4,25,26,28)/b27-16+.
What are the key properties of 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine?
2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine has a molecular weight of 370.50 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 171357318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).