1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine

C23H24FN3O — CID 1276000

IUPAC1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F
InChIInChI=1S/C23H24FN3O/c1-17-15-19(18(2)27(17)23-6-4-3-5-22(23)24)16-25-20-7-9-21(10-8-20)26-11-13-28-14-12-26/h3-10,15-16H,11-14H2,1-2H3/b25-16+
InChIKeyYIWKYANTGGTYLS-PCLIKHOPSA-N
MW377.46 g/mol
LogP4.82
Rot. Bonds4

About 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1276000) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1276000
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F
InChIInChI=1S/C23H24FN3O/c1-17-15-19(18(2)27(17)23-6-4-3-5-22(23)24)16-25-20-7-9-21(10-8-20)26-11-13-28-14-12-26/h3-10,15-16H,11-14H2,1-2H3/b25-16+
InChIKeyYIWKYANTGGTYLS-PCLIKHOPSA-N
XLogP4.82
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 1276000) is 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine is Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is YIWKYANTGGTYLS-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-17-15-19(18(2)27(17)23-6-4-3-5-22(23)24)16-25-20-7-9-21(10-8-20)26-11-13-28-14-12-26/h3-10,15-16H,11-14H2,1-2H3/b25-16+.
What are the key properties of 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 377.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1276000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).