1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine

C19H18N2S — CID 50857772

IUPAC1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine
SMILESCSc1ccccc1/N=C/c1cc(C)n(-c2ccccc2)c1
InChIInChI=1S/C19H18N2S/c1-15-12-16(14-21(15)17-8-4-3-5-9-17)13-20-18-10-6-7-11-19(18)22-2/h3-14H,1-2H3/b20-13+
InChIKeyQFPIVOYPUYMQIP-DEDYPNTBSA-N
MW306.43 g/mol
LogP5.26
Rot. Bonds4

About 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine

1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine (PubChem CID 50857772) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine
PubChem CID50857772
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine
SMILESCSc1ccccc1/N=C/c1cc(C)n(-c2ccccc2)c1
InChIInChI=1S/C19H18N2S/c1-15-12-16(14-21(15)17-8-4-3-5-9-17)13-20-18-10-6-7-11-19(18)22-2/h3-14H,1-2H3/b20-13+
InChIKeyQFPIVOYPUYMQIP-DEDYPNTBSA-N
XLogP5.26
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine?
The IUPAC name of 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine (CID 50857772) is 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine.
What is the SMILES notation for 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine?
The canonical SMILES for 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine is CSc1ccccc1/N=C/c1cc(C)n(-c2ccccc2)c1.
What is the InChIKey of 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine?
The InChIKey is QFPIVOYPUYMQIP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2S/c1-15-12-16(14-21(15)17-8-4-3-5-9-17)13-20-18-10-6-7-11-19(18)22-2/h3-14H,1-2H3/b20-13+.
What are the key properties of 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine?
1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine has a molecular weight of 306.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 50857772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).