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

C24H23Cl2N5O3 — CID 25260910

IUPAC2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C24H23Cl2N5O3/c1-5-27-23(32)15-11-14(33-3)12-17(34-4)18(15)21-22(31-10-6-9-28-24(31)30-21)29-20-16(25)8-7-13(2)19(20)26/h6-12,29H,5H2,1-4H3,(H,27,32)
InChIKeyVWVYUVDCBFUQOK-UHFFFAOYSA-N
MW500.39 g/mol
LogP5.52
Rot. Bonds7

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

2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide (PubChem CID 25260910) has the molecular formula C24H23Cl2N5O3 and a molecular weight of 500.39 g/mol. Its IUPAC name is 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
PubChem CID25260910
Molecular FormulaC24H23Cl2N5O3
Molecular Weight500.39 g/mol
Exact Mass499.12
IUPAC Name2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C24H23Cl2N5O3/c1-5-27-23(32)15-11-14(33-3)12-17(34-4)18(15)21-22(31-10-6-9-28-24(31)30-21)29-20-16(25)8-7-13(2)19(20)26/h6-12,29H,5H2,1-4H3,(H,27,32)
InChIKeyVWVYUVDCBFUQOK-UHFFFAOYSA-N
XLogP5.52
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.39
LogP ≤ 55.52
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-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide?
The IUPAC name of 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide (CID 25260910) is 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide?
The canonical SMILES for 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide is CCNC(=O)c1cc(OC)cc(OC)c1-c1nc2ncccn2c1Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide?
The InChIKey is VWVYUVDCBFUQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O3/c1-5-27-23(32)15-11-14(33-3)12-17(34-4)18(15)21-22(31-10-6-9-28-24(31)30-21)29-20-16(25)8-7-13(2)19(20)26/h6-12,29H,5H2,1-4H3,(H,27,32).
What are the key properties of 2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide?
2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide has a molecular weight of 500.39 g/mol, XLogP of 5.52, 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-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-N-ethyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 25260910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).