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

C20H20N2O2 — CID 50856867

IUPACN-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
SMILESCOc1ccc(-n2c(C)ccc2/C=N/c2cccc(OC)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-15-7-8-18(14-21-16-5-4-6-20(13-16)24-3)22(15)17-9-11-19(23-2)12-10-17/h4-14H,1-3H3/b21-14+
InChIKeyXUYDXFXZYIGTFI-KGENOOAVSA-N
MW320.39 g/mol
LogP4.55
Rot. Bonds5

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

N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine (PubChem CID 50856867) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
PubChem CID50856867
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
SMILESCOc1ccc(-n2c(C)ccc2/C=N/c2cccc(OC)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-15-7-8-18(14-21-16-5-4-6-20(13-16)24-3)22(15)17-9-11-19(23-2)12-10-17/h4-14H,1-3H3/b21-14+
InChIKeyXUYDXFXZYIGTFI-KGENOOAVSA-N
XLogP4.55
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
The IUPAC name of N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine (CID 50856867) is N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
The canonical SMILES for N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine is COc1ccc(-n2c(C)ccc2/C=N/c2cccc(OC)c2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
The InChIKey is XUYDXFXZYIGTFI-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-7-8-18(14-21-16-5-4-6-20(13-16)24-3)22(15)17-9-11-19(23-2)12-10-17/h4-14H,1-3H3/b21-14+.
What are the key properties of N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine?
N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine has a molecular weight of 320.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine is sourced from PubChem (CID 50856867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).