4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine

C22H19IN2O — CID 126702783

IUPAC4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(I)cc2)cc1
InChIInChI=1S/C22H19IN2O/c1-26-20-13-11-19(12-14-20)25-21(16-7-9-17(23)10-8-16)15-22(25)24-18-5-3-2-4-6-18/h2-14,21H,15H2,1H3/b24-22+
InChIKeyAXDYXEZTDRQFQK-ZNTNEXAZSA-N
MW454.31 g/mol
LogP5.98
Rot. Bonds4

About 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine

4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine (PubChem CID 126702783) has the molecular formula C22H19IN2O and a molecular weight of 454.31 g/mol. Its IUPAC name is 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine.

Molecular Properties

Compound Name4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
PubChem CID126702783
Molecular FormulaC22H19IN2O
Molecular Weight454.31 g/mol
Exact Mass454.05
IUPAC Name4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(I)cc2)cc1
InChIInChI=1S/C22H19IN2O/c1-26-20-13-11-19(12-14-20)25-21(16-7-9-17(23)10-8-16)15-22(25)24-18-5-3-2-4-6-18/h2-14,21H,15H2,1H3/b24-22+
InChIKeyAXDYXEZTDRQFQK-ZNTNEXAZSA-N
XLogP5.98
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The IUPAC name of 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine (CID 126702783) is 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine.
What is the SMILES notation for 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The canonical SMILES for 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(I)cc2)cc1.
What is the InChIKey of 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The InChIKey is AXDYXEZTDRQFQK-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H19IN2O/c1-26-20-13-11-19(12-14-20)25-21(16-7-9-17(23)10-8-16)15-22(25)24-18-5-3-2-4-6-18/h2-14,21H,15H2,1H3/b24-22+.
What are the key properties of 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine has a molecular weight of 454.31 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine is sourced from PubChem (CID 126702783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).