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

C21H13ClF3N3O — CID 42693739

IUPACN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H13ClF3N3O/c22-16-10-6-13(7-11-16)18-19(28-12-2-1-3-17(28)26-18)27-20(29)14-4-8-15(9-5-14)21(23,24)25/h1-12H,(H,27,29)
InChIKeyMHTQAYKXVITSPP-UHFFFAOYSA-N
MW415.80 g/mol
LogP5.93
Rot. Bonds3

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

N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 42693739) has the molecular formula C21H13ClF3N3O and a molecular weight of 415.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID42693739
Molecular FormulaC21H13ClF3N3O
Molecular Weight415.80 g/mol
Exact Mass415.07
IUPAC NameN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H13ClF3N3O/c22-16-10-6-13(7-11-16)18-19(28-12-2-1-3-17(28)26-18)27-20(29)14-4-8-15(9-5-14)21(23,24)25/h1-12H,(H,27,29)
InChIKeyMHTQAYKXVITSPP-UHFFFAOYSA-N
XLogP5.93
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.80
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3452000
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 979718
3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694666
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
2-(4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694212
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42694204
3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693942
N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42694678
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide
CID 42694186

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide (CID 42693739) is N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is MHTQAYKXVITSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O/c22-16-10-6-13(7-11-16)18-19(28-12-2-1-3-17(28)26-18)27-20(29)14-4-8-15(9-5-14)21(23,24)25/h1-12H,(H,27,29).
What are the key properties of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 415.80 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42693739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).