3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

C21H12Cl2F3N3O — CID 42694201

IUPAC3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H12Cl2F3N3O/c22-15-9-13(10-16(23)11-15)20(30)28-19-18(27-17-3-1-2-8-29(17)19)12-4-6-14(7-5-12)21(24,25)26/h1-11H,(H,28,30)
InChIKeyHLSIYMILBSMFRW-UHFFFAOYSA-N
MW450.25 g/mol
LogP6.58
Rot. Bonds3

About 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42694201) has the molecular formula C21H12Cl2F3N3O and a molecular weight of 450.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42694201
Molecular FormulaC21H12Cl2F3N3O
Molecular Weight450.25 g/mol
Exact Mass449.03
IUPAC Name3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H12Cl2F3N3O/c22-15-9-13(10-16(23)11-15)20(30)28-19-18(27-17-3-1-2-8-29(17)19)12-4-6-14(7-5-12)21(24,25)26/h1-11H,(H,28,30)
InChIKeyHLSIYMILBSMFRW-UHFFFAOYSA-N
XLogP6.58
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.25
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42694201) is 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is HLSIYMILBSMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F3N3O/c22-15-9-13(10-16(23)11-15)20(30)28-19-18(27-17-3-1-2-8-29(17)19)12-4-6-14(7-5-12)21(24,25)26/h1-11H,(H,28,30).
What are the key properties of 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 450.25 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42694201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).