2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide

C22H19Cl2N5O4 — CID 25260753

IUPAC2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide
SMILESCONC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H19Cl2N5O4/c1-31-12-10-13(21(30)28-33-3)17(16(11-12)32-2)19-20(29-9-5-8-25-22(29)27-19)26-18-14(23)6-4-7-15(18)24/h4-11,26H,1-3H3,(H,28,30)
InChIKeyLBNJDDSDSPLYMF-UHFFFAOYSA-N
MW488.33 g/mol
LogP4.76
Rot. Bonds7

About 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide

2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide (PubChem CID 25260753) has the molecular formula C22H19Cl2N5O4 and a molecular weight of 488.33 g/mol. Its IUPAC name is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide
PubChem CID25260753
Molecular FormulaC22H19Cl2N5O4
Molecular Weight488.33 g/mol
Exact Mass487.08
IUPAC Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide
SMILESCONC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H19Cl2N5O4/c1-31-12-10-13(21(30)28-33-3)17(16(11-12)32-2)19-20(29-9-5-8-25-22(29)27-19)26-18-14(23)6-4-7-15(18)24/h4-11,26H,1-3H3,(H,28,30)
InChIKeyLBNJDDSDSPLYMF-UHFFFAOYSA-N
XLogP4.76
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide?
The IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide (CID 25260753) is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide.
What is the SMILES notation for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide?
The canonical SMILES for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide is CONC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide?
The InChIKey is LBNJDDSDSPLYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O4/c1-31-12-10-13(21(30)28-33-3)17(16(11-12)32-2)19-20(29-9-5-8-25-22(29)27-19)26-18-14(23)6-4-7-15(18)24/h4-11,26H,1-3H3,(H,28,30).
What are the key properties of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide?
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide has a molecular weight of 488.33 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N,3,5-trimethoxybenzamide is sourced from PubChem (CID 25260753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).