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

C21H13F4N3O — CID 42694194

IUPAC4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C21H13F4N3O/c22-16-10-6-14(7-11-16)20(29)27-19-18(26-17-3-1-2-12-28(17)19)13-4-8-15(9-5-13)21(23,24)25/h1-12H,(H,27,29)
InChIKeyOWMBYZLHCATYAE-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.41
Rot. Bonds3

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

4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42694194) has the molecular formula C21H13F4N3O and a molecular weight of 399.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42694194
Molecular FormulaC21H13F4N3O
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC Name4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C21H13F4N3O/c22-16-10-6-14(7-11-16)20(29)27-19-18(26-17-3-1-2-12-28(17)19)13-4-8-15(9-5-13)21(23,24)25/h1-12H,(H,27,29)
InChIKeyOWMBYZLHCATYAE-UHFFFAOYSA-N
XLogP5.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42694194) is 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is OWMBYZLHCATYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O/c22-16-10-6-14(7-11-16)20(29)27-19-18(26-17-3-1-2-12-28(17)19)13-4-8-15(9-5-13)21(23,24)25/h1-12H,(H,27,29).
What are the key properties of 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide?
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 399.35 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).