2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide

C25H20Cl2N6O — CID 155255038

IUPAC2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C25H20Cl2N6O/c1-31(2)25(34)19-13-16(6-11-20(19)27)14-32-15-21(29-30-32)24-23(17-7-9-18(26)10-8-17)28-22-5-3-4-12-33(22)24/h3-13,15H,14H2,1-2H3
InChIKeyCQEZDAUPMCRMAB-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.32
Rot. Bonds5

About 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide

2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 155255038) has the molecular formula C25H20Cl2N6O and a molecular weight of 491.38 g/mol. Its IUPAC name is 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID155255038
Molecular FormulaC25H20Cl2N6O
Molecular Weight491.38 g/mol
Exact Mass490.11
IUPAC Name2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C25H20Cl2N6O/c1-31(2)25(34)19-13-16(6-11-20(19)27)14-32-15-21(29-30-32)24-23(17-7-9-18(26)10-8-17)28-22-5-3-4-12-33(22)24/h3-13,15H,14H2,1-2H3
InChIKeyCQEZDAUPMCRMAB-UHFFFAOYSA-N
XLogP5.32
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide (CID 155255038) is 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is CQEZDAUPMCRMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N6O/c1-31(2)25(34)19-13-16(6-11-20(19)27)14-32-15-21(29-30-32)24-23(17-7-9-18(26)10-8-17)28-22-5-3-4-12-33(22)24/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide?
2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 491.38 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 155255038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).