N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

C24H19ClN2O — CID 50856261

IUPACN-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)n1-c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-18-10-13-22(27(18)21-7-3-2-4-8-21)17-26-20-11-14-23(15-12-20)28-24-9-5-6-19(25)16-24/h2-17H,1H3/b26-17+
InChIKeyBULGPNLZACSINC-YZSQISJMSA-N
MW386.88 g/mol
LogP6.98
Rot. Bonds5

About N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (PubChem CID 50856261) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
PubChem CID50856261
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC NameN-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)n1-c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-18-10-13-22(27(18)21-7-3-2-4-8-21)17-26-20-11-14-23(15-12-20)28-24-9-5-6-19(25)16-24/h2-17H,1H3/b26-17+
InChIKeyBULGPNLZACSINC-YZSQISJMSA-N
XLogP6.98
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The IUPAC name of N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (CID 50856261) is N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The canonical SMILES for N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is Cc1ccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)n1-c1ccccc1.
What is the InChIKey of N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The InChIKey is BULGPNLZACSINC-YZSQISJMSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-18-10-13-22(27(18)21-7-3-2-4-8-21)17-26-20-11-14-23(15-12-20)28-24-9-5-6-19(25)16-24/h2-17H,1H3/b26-17+.
What are the key properties of N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine has a molecular weight of 386.88 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50856261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).