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

C23H21Cl2N5O3 — CID 25260597

IUPAC2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H21Cl2N5O3/c1-3-13-10-14(32-2)11-17(33-12-18(26)31)19(13)21-22(30-9-5-8-27-23(30)29-21)28-20-15(24)6-4-7-16(20)25/h4-11,28H,3,12H2,1-2H3,(H2,26,31)
InChIKeyWTAVMDPNOWZBHC-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.88
Rot. Bonds8

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

2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (PubChem CID 25260597) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
PubChem CID25260597
Molecular FormulaC23H21Cl2N5O3
Molecular Weight486.36 g/mol
Exact Mass485.10
IUPAC Name2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H21Cl2N5O3/c1-3-13-10-14(32-2)11-17(33-12-18(26)31)19(13)21-22(30-9-5-8-27-23(30)29-21)28-20-15(24)6-4-7-16(20)25/h4-11,28H,3,12H2,1-2H3,(H2,26,31)
InChIKeyWTAVMDPNOWZBHC-UHFFFAOYSA-N
XLogP4.88
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (CID 25260597) is 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is CCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ncccn2c1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The InChIKey is WTAVMDPNOWZBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c1-3-13-10-14(32-2)11-17(33-12-18(26)31)19(13)21-22(30-9-5-8-27-23(30)29-21)28-20-15(24)6-4-7-16(20)25/h4-11,28H,3,12H2,1-2H3,(H2,26,31).
What are the key properties of 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide has a molecular weight of 486.36 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is sourced from PubChem (CID 25260597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).