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

C20H11Cl2F2N3O — CID 42694666

IUPAC3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H11Cl2F2N3O/c21-13-6-4-12(9-14(13)22)20(28)26-19-18(11-5-7-15(23)16(24)10-11)25-17-3-1-2-8-27(17)19/h1-10H,(H,26,28)
InChIKeyNIDZNSSOXIAIKR-UHFFFAOYSA-N
MW418.23 g/mol
LogP5.84
Rot. Bonds3

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

3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42694666) has the molecular formula C20H11Cl2F2N3O and a molecular weight of 418.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42694666
Molecular FormulaC20H11Cl2F2N3O
Molecular Weight418.23 g/mol
Exact Mass417.02
IUPAC Name3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H11Cl2F2N3O/c21-13-6-4-12(9-14(13)22)20(28)26-19-18(11-5-7-15(23)16(24)10-11)25-17-3-1-2-8-27(17)19/h1-10H,(H,26,28)
InChIKeyNIDZNSSOXIAIKR-UHFFFAOYSA-N
XLogP5.84
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.23
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42694666) is 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is NIDZNSSOXIAIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F2N3O/c21-13-6-4-12(9-14(13)22)20(28)26-19-18(11-5-7-15(23)16(24)10-11)25-17-3-1-2-8-27(17)19/h1-10H,(H,26,28).
What are the key properties of 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 418.23 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42694666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).