2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone

C20H18Cl3N3O — CID 11258753

IUPAC2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCCCC1
InChIInChI=1S/C20H18Cl3N3O/c21-14-6-4-13(5-7-14)19-17(11-18(27)25-8-2-1-3-9-25)26-12-15(22)10-16(23)20(26)24-19/h4-7,10,12H,1-3,8-9,11H2
InChIKeyKKRWEGYWRZERQV-UHFFFAOYSA-N
MW422.74 g/mol
LogP5.52
Rot. Bonds3

About 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone

2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone (PubChem CID 11258753) has the molecular formula C20H18Cl3N3O and a molecular weight of 422.74 g/mol. Its IUPAC name is 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone
PubChem CID11258753
Molecular FormulaC20H18Cl3N3O
Molecular Weight422.74 g/mol
Exact Mass421.05
IUPAC Name2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCCCC1
InChIInChI=1S/C20H18Cl3N3O/c21-14-6-4-13(5-7-14)19-17(11-18(27)25-8-2-1-3-9-25)26-12-15(22)10-16(23)20(26)24-19/h4-7,10,12H,1-3,8-9,11H2
InChIKeyKKRWEGYWRZERQV-UHFFFAOYSA-N
XLogP5.52
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone (CID 11258753) is 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone is O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCCCC1.
What is the InChIKey of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone?
The InChIKey is KKRWEGYWRZERQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O/c21-14-6-4-13(5-7-14)19-17(11-18(27)25-8-2-1-3-9-25)26-12-15(22)10-16(23)20(26)24-19/h4-7,10,12H,1-3,8-9,11H2.
What are the key properties of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone?
2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone has a molecular weight of 422.74 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 11258753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).