1-(2-bromophenyl)-3-phenyl-2H-perimidine

C23H17BrN2 — CID 156863276

IUPAC1-(2-bromophenyl)-3-phenyl-2H-perimidine
SMILESBrc1ccccc1N1CN(c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C23H17BrN2/c24-19-12-4-5-13-20(19)26-16-25(18-10-2-1-3-11-18)21-14-6-8-17-9-7-15-22(26)23(17)21/h1-15H,16H2
InChIKeySBECLTZXQPVCLN-UHFFFAOYSA-N
MW401.31 g/mol
LogP6.85
Rot. Bonds2

About 1-(2-bromophenyl)-3-phenyl-2H-perimidine

1-(2-bromophenyl)-3-phenyl-2H-perimidine (PubChem CID 156863276) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-phenyl-2H-perimidine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-phenyl-2H-perimidine
PubChem CID156863276
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name1-(2-bromophenyl)-3-phenyl-2H-perimidine
SMILESBrc1ccccc1N1CN(c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C23H17BrN2/c24-19-12-4-5-13-20(19)26-16-25(18-10-2-1-3-11-18)21-14-6-8-17-9-7-15-22(26)23(17)21/h1-15H,16H2
InChIKeySBECLTZXQPVCLN-UHFFFAOYSA-N
XLogP6.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-3-phenyl-2H-perimidine 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)-3-phenyl-2H-perimidine?
The IUPAC name of 1-(2-bromophenyl)-3-phenyl-2H-perimidine (CID 156863276) is 1-(2-bromophenyl)-3-phenyl-2H-perimidine.
What is the SMILES notation for 1-(2-bromophenyl)-3-phenyl-2H-perimidine?
The canonical SMILES for 1-(2-bromophenyl)-3-phenyl-2H-perimidine is Brc1ccccc1N1CN(c2ccccc2)c2cccc3cccc1c23.
What is the InChIKey of 1-(2-bromophenyl)-3-phenyl-2H-perimidine?
The InChIKey is SBECLTZXQPVCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-19-12-4-5-13-20(19)26-16-25(18-10-2-1-3-11-18)21-14-6-8-17-9-7-15-22(26)23(17)21/h1-15H,16H2.
What are the key properties of 1-(2-bromophenyl)-3-phenyl-2H-perimidine?
1-(2-bromophenyl)-3-phenyl-2H-perimidine has a molecular weight of 401.31 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-phenyl-2H-perimidine is sourced from PubChem (CID 156863276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).