N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine

C19H17IN2O — CID 50855266

IUPACN-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
SMILESCOc1ccc(-n2ccc(/C=N/c3ccc(I)c(C)c3)c2)cc1
InChIInChI=1S/C19H17IN2O/c1-14-11-16(3-8-19(14)20)21-12-15-9-10-22(13-15)17-4-6-18(23-2)7-5-17/h3-13H,1-2H3/b21-12+
InChIKeyBAROJUBVKSJQAW-CIAFOILYSA-N
MW416.26 g/mol
LogP5.15
Rot. Bonds4

About N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine

N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine (PubChem CID 50855266) has the molecular formula C19H17IN2O and a molecular weight of 416.26 g/mol. Its IUPAC name is N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
PubChem CID50855266
Molecular FormulaC19H17IN2O
Molecular Weight416.26 g/mol
Exact Mass416.04
IUPAC NameN-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
SMILESCOc1ccc(-n2ccc(/C=N/c3ccc(I)c(C)c3)c2)cc1
InChIInChI=1S/C19H17IN2O/c1-14-11-16(3-8-19(14)20)21-12-15-9-10-22(13-15)17-4-6-18(23-2)7-5-17/h3-13H,1-2H3/b21-12+
InChIKeyBAROJUBVKSJQAW-CIAFOILYSA-N
XLogP5.15
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855511
4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
CID 50855638
N-(4-iodo-3-methylphenyl)-1-(1-methylpyrrol-3-yl)methanimine
CID 50853499
N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855445
1-[1-(4-methoxyphenyl)pyrrol-3-yl]-N-[4-(4-nitrophenyl)sulfanylphenyl]methanimine
CID 50855596
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855490
N-(4-iodo-3-methylphenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine
CID 4559625
N-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 693625
5-bromo-7-iodo-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 50855509
N-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857580
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
N-[(E)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 50855304

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
The IUPAC name of N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine (CID 50855266) is N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine.
What is the SMILES notation for N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
The canonical SMILES for N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine is COc1ccc(-n2ccc(/C=N/c3ccc(I)c(C)c3)c2)cc1.
What is the InChIKey of N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
The InChIKey is BAROJUBVKSJQAW-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17IN2O/c1-14-11-16(3-8-19(14)20)21-12-15-9-10-22(13-15)17-4-6-18(23-2)7-5-17/h3-13H,1-2H3/b21-12+.
What are the key properties of N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine has a molecular weight of 416.26 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine is sourced from PubChem (CID 50855266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).