N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine

C19H17BrN2O — CID 50857935

IUPACN-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine
SMILESCOc1ccc(-n2cc(/C=N/c3ccccc3Br)cc2C)cc1
InChIInChI=1S/C19H17BrN2O/c1-14-11-15(12-21-19-6-4-3-5-18(19)20)13-22(14)16-7-9-17(23-2)10-8-16/h3-13H,1-2H3/b21-12+
InChIKeyPOFSQXUOHPEAMR-CIAFOILYSA-N
MW369.26 g/mol
LogP5.31
Rot. Bonds4

About N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine

N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine (PubChem CID 50857935) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine
PubChem CID50857935
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine
SMILESCOc1ccc(-n2cc(/C=N/c3ccccc3Br)cc2C)cc1
InChIInChI=1S/C19H17BrN2O/c1-14-11-15(12-21-19-6-4-3-5-18(19)20)13-22(14)16-7-9-17(23-2)10-8-16/h3-13H,1-2H3/b21-12+
InChIKeyPOFSQXUOHPEAMR-CIAFOILYSA-N
XLogP5.31
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.31
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-(4-bromo-2-methylphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine
CID 50857877
N-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857580
[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]thiourea
CID 50857651
N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857421
2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
CID 137224260
N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2,4-dinitroaniline
CID 50857758
N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50857678
2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
CID 50857597
4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
CID 50857660
(Z)-2-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]prop-2-enenitrile
CID 50857608
4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol
CID 50857504
4-methyl-3-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzoic acid
CID 50857736

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine?
The IUPAC name of N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine (CID 50857935) is N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine.
What is the SMILES notation for N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine?
The canonical SMILES for N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine is COc1ccc(-n2cc(/C=N/c3ccccc3Br)cc2C)cc1.
What is the InChIKey of N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine?
The InChIKey is POFSQXUOHPEAMR-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-14-11-15(12-21-19-6-4-3-5-18(19)20)13-22(14)16-7-9-17(23-2)10-8-16/h3-13H,1-2H3/b21-12+.
What are the key properties of N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine?
N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine has a molecular weight of 369.26 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methanimine is sourced from PubChem (CID 50857935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).