N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

C19H17BrN2 — CID 50855849

IUPACN-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCc1cc(/N=C/c2ccc(C)n2-c2ccccc2)ccc1Br
InChIInChI=1S/C19H17BrN2/c1-14-12-16(9-11-19(14)20)21-13-18-10-8-15(2)22(18)17-6-4-3-5-7-17/h3-13H,1-2H3/b21-13+
InChIKeyDQUAYDIJMRUMLD-FYJGNVAPSA-N
MW353.26 g/mol
LogP5.61
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (PubChem CID 50855849) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
PubChem CID50855849
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCc1cc(/N=C/c2ccc(C)n2-c2ccccc2)ccc1Br
InChIInChI=1S/C19H17BrN2/c1-14-12-16(9-11-19(14)20)21-13-18-10-8-15(2)22(18)17-6-4-3-5-7-17/h3-13H,1-2H3/b21-13+
InChIKeyDQUAYDIJMRUMLD-FYJGNVAPSA-N
XLogP5.61
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]phenol
CID 50855881
N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856275
N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50855839
N-[4-(3-chlorophenoxy)phenyl]-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856261
N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
CID 50856867
N-(4-bromo-3-methylphenyl)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanimine
CID 126235790
N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856568
N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
CID 2346219
3-[[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzoic acid
CID 50856715
N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126081547
N-(4-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
CID 50856718
N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126235228

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (CID 50855849) is N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is Cc1cc(/N=C/c2ccc(C)n2-c2ccccc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The InChIKey is DQUAYDIJMRUMLD-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17BrN2/c1-14-12-16(9-11-19(14)20)21-13-18-10-8-15(2)22(18)17-6-4-3-5-7-17/h3-13H,1-2H3/b21-13+.
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine has a molecular weight of 353.26 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50855849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).