N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide

C22H17F2N3O — CID 42694678

IUPACN-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(-c3ccc(F)c(F)c3)nc3ccccn23)cc1
InChIInChI=1S/C22H17F2N3O/c1-2-14-6-8-15(9-7-14)22(28)26-21-20(16-10-11-17(23)18(24)13-16)25-19-5-3-4-12-27(19)21/h3-13H,2H2,1H3,(H,26,28)
InChIKeyYKDSMHGYLPVHLT-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.09
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide

N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide (PubChem CID 42694678) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
PubChem CID42694678
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC NameN-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(-c3ccc(F)c(F)c3)nc3ccccn23)cc1
InChIInChI=1S/C22H17F2N3O/c1-2-14-6-8-15(9-7-14)22(28)26-21-20(16-10-11-17(23)18(24)13-16)25-19-5-3-4-12-27(19)21/h3-13H,2H2,1H3,(H,26,28)
InChIKeyYKDSMHGYLPVHLT-UHFFFAOYSA-N
XLogP5.09
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide (CID 42694678) is N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2c(-c3ccc(F)c(F)c3)nc3ccccn23)cc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide?
The InChIKey is YKDSMHGYLPVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c1-2-14-6-8-15(9-7-14)22(28)26-21-20(16-10-11-17(23)18(24)13-16)25-19-5-3-4-12-27(19)21/h3-13H,2H2,1H3,(H,26,28).
What are the key properties of N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide?
N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide has a molecular weight of 377.39 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide is sourced from PubChem (CID 42694678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).