3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine

C17H11Cl3N6 — CID 148667758

IUPAC3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine
SMILESClc1cncc(-c2ncc(C3=NN=NC3)n2Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H11Cl3N6/c18-12-1-2-14(20)11(4-12)9-26-16(15-7-23-25-24-15)8-22-17(26)10-3-13(19)6-21-5-10/h1-6,8H,7,9H2
InChIKeyNPBWDLXSMUUZFQ-UHFFFAOYSA-N
MW405.68 g/mol
LogP5.12
Rot. Bonds4

About 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine

3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine (PubChem CID 148667758) has the molecular formula C17H11Cl3N6 and a molecular weight of 405.68 g/mol. Its IUPAC name is 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine
PubChem CID148667758
Molecular FormulaC17H11Cl3N6
Molecular Weight405.68 g/mol
Exact Mass404.01
IUPAC Name3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine
SMILESClc1cncc(-c2ncc(C3=NN=NC3)n2Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H11Cl3N6/c18-12-1-2-14(20)11(4-12)9-26-16(15-7-23-25-24-15)8-22-17(26)10-3-13(19)6-21-5-10/h1-6,8H,7,9H2
InChIKeyNPBWDLXSMUUZFQ-UHFFFAOYSA-N
XLogP5.12
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.68
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine 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 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine?
The IUPAC name of 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine (CID 148667758) is 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine is Clc1cncc(-c2ncc(C3=NN=NC3)n2Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine?
The InChIKey is NPBWDLXSMUUZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N6/c18-12-1-2-14(20)11(4-12)9-26-16(15-7-23-25-24-15)8-22-17(26)10-3-13(19)6-21-5-10/h1-6,8H,7,9H2.
What are the key properties of 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine?
3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine has a molecular weight of 405.68 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-[(2,5-dichlorophenyl)methyl]-5-(4H-triazol-5-yl)imidazol-2-yl]pyridine is sourced from PubChem (CID 148667758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).