N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide

C20H14F3N3O2 — CID 46864466

IUPACN-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide
SMILESO=C(NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1ccccc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)17-8-15(14-6-7-28-12-14)10-26-11-16(25-18(17)26)9-24-19(27)13-4-2-1-3-5-13/h1-8,10-12H,9H2,(H,24,27)
InChIKeyPWYVKOJSBRLTPN-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.54
Rot. Bonds4

About N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide

N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide (PubChem CID 46864466) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide
PubChem CID46864466
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide
SMILESO=C(NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1ccccc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)17-8-15(14-6-7-28-12-14)10-26-11-16(25-18(17)26)9-24-19(27)13-4-2-1-3-5-13/h1-8,10-12H,9H2,(H,24,27)
InChIKeyPWYVKOJSBRLTPN-UHFFFAOYSA-N
XLogP4.54
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide?
The IUPAC name of N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide (CID 46864466) is N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide is O=C(NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1ccccc1.
What is the InChIKey of N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide?
The InChIKey is PWYVKOJSBRLTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)17-8-15(14-6-7-28-12-14)10-26-11-16(25-18(17)26)9-24-19(27)13-4-2-1-3-5-13/h1-8,10-12H,9H2,(H,24,27).
What are the key properties of N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide?
N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide has a molecular weight of 385.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]benzamide is sourced from PubChem (CID 46864466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).