N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

C19H17ClN2O — CID 50856568

IUPACN-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCOc1ccc(Cl)cc1/N=C/c1ccc(C)n1-c1ccccc1
InChIInChI=1S/C19H17ClN2O/c1-14-8-10-17(22(14)16-6-4-3-5-7-16)13-21-18-12-15(20)9-11-19(18)23-2/h3-13H,1-2H3/b21-13+
InChIKeyKQCFVUHVRPUXMA-FYJGNVAPSA-N
MW324.81 g/mol
LogP5.20
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (PubChem CID 50856568) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
PubChem CID50856568
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCOc1ccc(Cl)cc1/N=C/c1ccc(C)n1-c1ccccc1
InChIInChI=1S/C19H17ClN2O/c1-14-8-10-17(22(14)16-6-4-3-5-7-16)13-21-18-12-15(20)9-11-19(18)23-2/h3-13H,1-2H3/b21-13+
InChIKeyKQCFVUHVRPUXMA-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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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126105875
N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856261
N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
CID 50856718
N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50855849
2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135498573
N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
CID 50856867
N-(5-chloro-2-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126025583
3-[[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzoic acid
CID 50856715
N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50855839
2-(2-chlorophenoxy)-N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 50856410
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844628
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (CID 50856568) is N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is COc1ccc(Cl)cc1/N=C/c1ccc(C)n1-c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The InChIKey is KQCFVUHVRPUXMA-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-14-8-10-17(22(14)16-6-4-3-5-7-16)13-21-18-12-15(20)9-11-19(18)23-2/h3-13H,1-2H3/b21-13+.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-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-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50856568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).