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

C23H21Cl2N5O3 — CID 67545460

IUPAC2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H21Cl2N5O3/c1-4-26-22(31)14-11-13(32-2)12-17(33-3)18(14)20-21(30-10-6-9-27-23(30)29-20)28-19-15(24)7-5-8-16(19)25/h5-12,28H,4H2,1-3H3,(H,26,31)
InChIKeyLRSJQMDSOYIBMF-UHFFFAOYSA-N
MW486.36 g/mol
LogP5.21
Rot. Bonds7

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

2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide (PubChem CID 67545460) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
PubChem CID67545460
Molecular FormulaC23H21Cl2N5O3
Molecular Weight486.36 g/mol
Exact Mass485.10
IUPAC Name2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H21Cl2N5O3/c1-4-26-22(31)14-11-13(32-2)12-17(33-3)18(14)20-21(30-10-6-9-27-23(30)29-20)28-19-15(24)7-5-8-16(19)25/h5-12,28H,4H2,1-3H3,(H,26,31)
InChIKeyLRSJQMDSOYIBMF-UHFFFAOYSA-N
XLogP5.21
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.36
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-ethyl-3,5-dimethoxybenzamide?
The IUPAC name of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide (CID 67545460) is 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide?
The canonical SMILES for 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide is CCNC(=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-ethyl-3,5-dimethoxybenzamide?
The InChIKey is LRSJQMDSOYIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c1-4-26-22(31)14-11-13(32-2)12-17(33-3)18(14)20-21(30-10-6-9-27-23(30)29-20)28-19-15(24)7-5-8-16(19)25/h5-12,28H,4H2,1-3H3,(H,26,31).
What are the key properties of 2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide?
2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide has a molecular weight of 486.36 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-ethyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 67545460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).