5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol

C17H13F3N2O — CID 135402501

IUPAC5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)12-7-4-8-13(9-12)22-10-14(23)15(16(22)21)11-5-2-1-3-6-11/h1-9,21,23H,10H2/b21-16-
InChIKeyVKYYRIJPJGJDQJ-PGMHBOJBSA-N
MW318.30 g/mol
LogP4.47
Rot. Bonds2

About 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol

5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol (PubChem CID 135402501) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
PubChem CID135402501
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)12-7-4-8-13(9-12)22-10-14(23)15(16(22)21)11-5-2-1-3-6-11/h1-9,21,23H,10H2/b21-16-
InChIKeyVKYYRIJPJGJDQJ-PGMHBOJBSA-N
XLogP4.47
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.47
H-Bond Donors ≤ 52
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 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol (CID 135402501) is 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol?
The InChIKey is VKYYRIJPJGJDQJ-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)12-7-4-8-13(9-12)22-10-14(23)15(16(22)21)11-5-2-1-3-6-11/h1-9,21,23H,10H2/b21-16-.
What are the key properties of 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol?
5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol has a molecular weight of 318.30 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol is sourced from PubChem (CID 135402501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).