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

C21H25N5O2S — CID 53251474

IUPAC1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C21H25N5O2S/c1-14-9-15(2)26-10-16(23-21(26)22-14)6-7-20-24-18(19-5-4-8-29-19)12-25(20)11-17(27)13-28-3/h4-5,8-10,12,17,27H,6-7,11,13H2,1-3H3
InChIKeyBQTCNLJBJDNHJW-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.06
Rot. Bonds8

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

1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-methoxypropan-2-ol (PubChem CID 53251474) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 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-methoxypropan-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-methoxypropan-2-ol
PubChem CID53251474
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C21H25N5O2S/c1-14-9-15(2)26-10-16(23-21(26)22-14)6-7-20-24-18(19-5-4-8-29-19)12-25(20)11-17(27)13-28-3/h4-5,8-10,12,17,27H,6-7,11,13H2,1-3H3
InChIKeyBQTCNLJBJDNHJW-UHFFFAOYSA-N
XLogP3.06
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methoxypropan-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-methoxypropan-2-ol (CID 53251474) is 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-methoxypropan-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-methoxypropan-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-methoxypropan-2-ol is COCC(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-methoxypropan-2-ol?
The InChIKey is BQTCNLJBJDNHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-14-9-15(2)26-10-16(23-21(26)22-14)6-7-20-24-18(19-5-4-8-29-19)12-25(20)11-17(27)13-28-3/h4-5,8-10,12,17,27H,6-7,11,13H2,1-3H3.
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-methoxypropan-2-ol?
1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-methoxypropan-2-ol has a molecular weight of 411.53 g/mol, XLogP of 3.06, 8 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-methoxypropan-2-ol is sourced from PubChem (CID 53251474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).