1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine

C25H21BrF5N — CID 135002726

IUPAC1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C25H21BrF5N/c1-12(2)14-9-7-10-15(13(3)4)24(14)32-25(16-8-5-6-11-17(16)26)18-19(27)21(29)23(31)22(30)20(18)28/h5-13H,1-4H3/b32-25+
InChIKeyDJELUGQKGQUWAS-WGPBWIAQSA-N
MW510.34 g/mol
LogP8.56
Rot. Bonds5

About 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine

1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 135002726) has the molecular formula C25H21BrF5N and a molecular weight of 510.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID135002726
Molecular FormulaC25H21BrF5N
Molecular Weight510.34 g/mol
Exact Mass509.08
IUPAC Name1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C25H21BrF5N/c1-12(2)14-9-7-10-15(13(3)4)24(14)32-25(16-8-5-6-11-17(16)26)18-19(27)21(29)23(31)22(30)20(18)28/h5-13H,1-4H3/b32-25+
InChIKeyDJELUGQKGQUWAS-WGPBWIAQSA-N
XLogP8.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.34
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 135002726) is 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine is CC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is DJELUGQKGQUWAS-WGPBWIAQSA-N. The full InChI is InChI=1S/C25H21BrF5N/c1-12(2)14-9-7-10-15(13(3)4)24(14)32-25(16-8-5-6-11-17(16)26)18-19(27)21(29)23(31)22(30)20(18)28/h5-13H,1-4H3/b32-25+.
What are the key properties of 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 510.34 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 135002726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).