2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine

C22H14Cl3N5 — CID 155254988

IUPAC2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccccn3c2-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C22H14Cl3N5/c23-15-7-5-14(6-8-15)20-21(30-10-2-1-3-19(30)27-20)22-26-18(28-29-22)12-13-4-9-16(24)17(25)11-13/h1-11H,12H2,(H,26,28,29)
InChIKeyFIWOOBVKFLSQIW-UHFFFAOYSA-N
MW454.75 g/mol
LogP6.34
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine

2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 155254988) has the molecular formula C22H14Cl3N5 and a molecular weight of 454.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID155254988
Molecular FormulaC22H14Cl3N5
Molecular Weight454.75 g/mol
Exact Mass453.03
IUPAC Name2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccccn3c2-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C22H14Cl3N5/c23-15-7-5-14(6-8-15)20-21(30-10-2-1-3-19(30)27-20)22-26-18(28-29-22)12-13-4-9-16(24)17(25)11-13/h1-11H,12H2,(H,26,28,29)
InChIKeyFIWOOBVKFLSQIW-UHFFFAOYSA-N
XLogP6.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.75
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine (CID 155254988) is 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine is Clc1ccc(-c2nc3ccccn3c2-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is FIWOOBVKFLSQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N5/c23-15-7-5-14(6-8-15)20-21(30-10-2-1-3-19(30)27-20)22-26-18(28-29-22)12-13-4-9-16(24)17(25)11-13/h1-11H,12H2,(H,26,28,29).
What are the key properties of 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 454.75 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155254988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).