2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C20H23N5OS — CID 53251625

IUPAC2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCOCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C20H23N5OS/c1-14-11-15(2)25-12-16(22-20(25)21-14)6-7-19-23-17(18-5-4-10-27-18)13-24(19)8-9-26-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyXGCDOQGDBSWMDV-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.70
Rot. Bonds7

About 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 53251625) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID53251625
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCOCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C20H23N5OS/c1-14-11-15(2)25-12-16(22-20(25)21-14)6-7-19-23-17(18-5-4-10-27-18)13-24(19)8-9-26-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyXGCDOQGDBSWMDV-UHFFFAOYSA-N
XLogP3.70
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 53251625) is 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is COCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1.
What is the InChIKey of 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is XGCDOQGDBSWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-11-15(2)25-12-16(22-20(25)21-14)6-7-19-23-17(18-5-4-10-27-18)13-24(19)8-9-26-3/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 381.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methoxyethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).