N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine

C19H17ClN2O — CID 50856718

IUPACN-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
SMILESCOc1ccc(-n2c(C)ccc2/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O/c1-14-3-8-18(13-21-16-6-4-15(20)5-7-16)22(14)17-9-11-19(23-2)12-10-17/h3-13H,1-2H3/b21-13+
InChIKeyYDEBRBUCLYFUCZ-FYJGNVAPSA-N
MW324.81 g/mol
LogP5.20
Rot. Bonds4

About N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine

N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine (PubChem CID 50856718) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
PubChem CID50856718
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
SMILESCOc1ccc(-n2c(C)ccc2/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O/c1-14-3-8-18(13-21-16-6-4-15(20)5-7-16)22(14)17-9-11-19(23-2)12-10-17/h3-13H,1-2H3/b21-13+
InChIKeyYDEBRBUCLYFUCZ-FYJGNVAPSA-N
XLogP5.20
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine (CID 50856718) is N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine is COc1ccc(-n2c(C)ccc2/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
The InChIKey is YDEBRBUCLYFUCZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-14-3-8-18(13-21-16-6-4-15(20)5-7-16)22(14)17-9-11-19(23-2)12-10-17/h3-13H,1-2H3/b21-13+.
What are the key properties of N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine has a molecular weight of 324.81 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine is sourced from PubChem (CID 50856718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).