N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide

C28H19F3N4O3 — CID 127026488

IUPACN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccccc4)cccn23)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C28H19F3N4O3/c29-28(30,31)38-22-12-5-10-20(16-22)27(37)33-21-11-4-9-19(15-21)24-17-32-25-23(13-6-14-35(24)25)34-26(36)18-7-2-1-3-8-18/h1-17H,(H,33,37)(H,34,36)
InChIKeyJGGMZWUELGKLNK-UHFFFAOYSA-N
MW516.48 g/mol
LogP6.40
Rot. Bonds6

About N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide

N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 127026488) has the molecular formula C28H19F3N4O3 and a molecular weight of 516.48 g/mol. Its IUPAC name is N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID127026488
Molecular FormulaC28H19F3N4O3
Molecular Weight516.48 g/mol
Exact Mass516.14
IUPAC NameN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccccc4)cccn23)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C28H19F3N4O3/c29-28(30,31)38-22-12-5-10-20(16-22)27(37)33-21-11-4-9-19(15-21)24-17-32-25-23(13-6-14-35(24)25)34-26(36)18-7-2-1-3-8-18/h1-17H,(H,33,37)(H,34,36)
InChIKeyJGGMZWUELGKLNK-UHFFFAOYSA-N
XLogP6.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide (CID 127026488) is N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccccc4)cccn23)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is JGGMZWUELGKLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N4O3/c29-28(30,31)38-22-12-5-10-20(16-22)27(37)33-21-11-4-9-19(15-21)24-17-32-25-23(13-6-14-35(24)25)34-26(36)18-7-2-1-3-8-18/h1-17H,(H,33,37)(H,34,36).
What are the key properties of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide?
N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 516.48 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 127026488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).