2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine

C19H10ClN3O2 — CID 176645637

IUPAC2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
SMILESClc1nc(-c2cc3ccccc3o2)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C19H10ClN3O2/c20-19-22-17(15-9-11-5-1-3-7-13(11)24-15)21-18(23-19)16-10-12-6-2-4-8-14(12)25-16/h1-10H
InChIKeyUZJVYECTYBJDLS-UHFFFAOYSA-N
MW347.76 g/mol
LogP5.35
Rot. Bonds2

About 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine

2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine (PubChem CID 176645637) has the molecular formula C19H10ClN3O2 and a molecular weight of 347.76 g/mol. Its IUPAC name is 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
PubChem CID176645637
Molecular FormulaC19H10ClN3O2
Molecular Weight347.76 g/mol
Exact Mass347.05
IUPAC Name2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
SMILESClc1nc(-c2cc3ccccc3o2)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C19H10ClN3O2/c20-19-22-17(15-9-11-5-1-3-7-13(11)24-15)21-18(23-19)16-10-12-6-2-4-8-14(12)25-16/h1-10H
InChIKeyUZJVYECTYBJDLS-UHFFFAOYSA-N
XLogP5.35
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.76
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine 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 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine (CID 176645637) is 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine is Clc1nc(-c2cc3ccccc3o2)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
The InChIKey is UZJVYECTYBJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN3O2/c20-19-22-17(15-9-11-5-1-3-7-13(11)24-15)21-18(23-19)16-10-12-6-2-4-8-14(12)25-16/h1-10H.
What are the key properties of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine has a molecular weight of 347.76 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine is sourced from PubChem (CID 176645637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).