N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide

C21H13Cl2F3N4O — CID 54256907

IUPACN-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
SMILESNc1cccc(-c2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccn23)c1
InChIInChI=1S/C21H13Cl2F3N4O/c22-13-6-2-7-14(23)16(13)20(31)28-15-8-3-9-30-17(11-4-1-5-12(27)10-11)18(21(24,25)26)29-19(15)30/h1-10H,27H2,(H,28,31)
InChIKeyRASDLXIRTAWUJY-UHFFFAOYSA-N
MW465.26 g/mol
LogP6.16
Rot. Bonds3

About N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide

N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide (PubChem CID 54256907) has the molecular formula C21H13Cl2F3N4O and a molecular weight of 465.26 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
PubChem CID54256907
Molecular FormulaC21H13Cl2F3N4O
Molecular Weight465.26 g/mol
Exact Mass464.04
IUPAC NameN-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
SMILESNc1cccc(-c2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccn23)c1
InChIInChI=1S/C21H13Cl2F3N4O/c22-13-6-2-7-14(23)16(13)20(31)28-15-8-3-9-30-17(11-4-1-5-12(27)10-11)18(21(24,25)26)29-19(15)30/h1-10H,27H2,(H,28,31)
InChIKeyRASDLXIRTAWUJY-UHFFFAOYSA-N
XLogP6.16
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.26
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide (CID 54256907) is N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide is Nc1cccc(-c2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccn23)c1.
What is the InChIKey of N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is RASDLXIRTAWUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N4O/c22-13-6-2-7-14(23)16(13)20(31)28-15-8-3-9-30-17(11-4-1-5-12(27)10-11)18(21(24,25)26)29-19(15)30/h1-10H,27H2,(H,28,31).
What are the key properties of N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 465.26 g/mol, XLogP of 6.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 54256907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).