1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol

C22H27N5O2S — CID 67261218

IUPAC1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)Cn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C22H27N5O2S/c1-4-29-14-18(28)12-26-13-19(20-6-5-9-30-20)25-21(26)8-7-17-11-27-16(3)10-15(2)23-22(27)24-17/h5-6,9-11,13,18,28H,4,7-8,12,14H2,1-3H3
InChIKeyVLILOWCQERIRFC-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.45
Rot. Bonds9

About 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol

1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol (PubChem CID 67261218) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol
PubChem CID67261218
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)Cn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C22H27N5O2S/c1-4-29-14-18(28)12-26-13-19(20-6-5-9-30-20)25-21(26)8-7-17-11-27-16(3)10-15(2)23-22(27)24-17/h5-6,9-11,13,18,28H,4,7-8,12,14H2,1-3H3
InChIKeyVLILOWCQERIRFC-UHFFFAOYSA-N
XLogP3.45
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol (CID 67261218) is 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol is CCOCC(O)Cn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1.
What is the InChIKey of 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol?
The InChIKey is VLILOWCQERIRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-4-29-14-18(28)12-26-13-19(20-6-5-9-30-20)25-21(26)8-7-17-11-27-16(3)10-15(2)23-22(27)24-17/h5-6,9-11,13,18,28H,4,7-8,12,14H2,1-3H3.
What are the key properties of 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol?
1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol has a molecular weight of 425.56 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-ethoxypropan-2-ol is sourced from PubChem (CID 67261218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).