N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

C22H24N2 — CID 50855839

IUPACN-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCCC(C)c1ccc(/N=C/c2ccc(C)n2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2/c1-4-17(2)19-11-13-20(14-12-19)23-16-22-15-10-18(3)24(22)21-8-6-5-7-9-21/h5-17H,4H2,1-3H3/b23-16+
InChIKeyKNVHMFUXVVGUSU-XQNSMLJCSA-N
MW316.45 g/mol
LogP6.05
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine

N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (PubChem CID 50855839) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
PubChem CID50855839
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
SMILESCCC(C)c1ccc(/N=C/c2ccc(C)n2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2/c1-4-17(2)19-11-13-20(14-12-19)23-16-22-15-10-18(3)24(22)21-8-6-5-7-9-21/h5-17H,4H2,1-3H3/b23-16+
InChIKeyKNVHMFUXVVGUSU-XQNSMLJCSA-N
XLogP6.05
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The IUPAC name of N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine (CID 50855839) is N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is CCC(C)c1ccc(/N=C/c2ccc(C)n2-c2ccccc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
The InChIKey is KNVHMFUXVVGUSU-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H24N2/c1-4-17(2)19-11-13-20(14-12-19)23-16-22-15-10-18(3)24(22)21-8-6-5-7-9-21/h5-17H,4H2,1-3H3/b23-16+.
What are the key properties of N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine?
N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine has a molecular weight of 316.45 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50855839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).