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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Related Compounds

Agl 2043
CID 9817165
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
3-(2-Methoxyethyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 1947381
3-(3-Methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2001972
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
1-((2-(imidazo[1,2-a]pyridin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49833295
1-((2-(1H-benzo[d]imidazol-1-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 59605427
4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887431
4-(2,3-Dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059050
4-(2,3-Dimethylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059107
tert-Butyl-(2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 860274
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503

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).