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

C20H22FN5OS — CID 67259225

IUPAC1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-fluoropropan-2-ol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CC(O)CF)nc2n1
InChIInChI=1S/C20H22FN5OS/c1-13-8-14(2)26-10-15(23-20(26)22-13)5-6-19-24-17(18-4-3-7-28-18)12-25(19)11-16(27)9-21/h3-4,7-8,10,12,16,27H,5-6,9,11H2,1-2H3
InChIKeyIPLXQNRTKMSKRF-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.39
Rot. Bonds7

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

1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-fluoropropan-2-ol (PubChem CID 67259225) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 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-fluoropropan-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-fluoropropan-2-ol
PubChem CID67259225
Molecular FormulaC20H22FN5OS
Molecular Weight399.50 g/mol
Exact Mass399.15
IUPAC Name1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-fluoropropan-2-ol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CC(O)CF)nc2n1
InChIInChI=1S/C20H22FN5OS/c1-13-8-14(2)26-10-15(23-20(26)22-13)5-6-19-24-17(18-4-3-7-28-18)12-25(19)11-16(27)9-21/h3-4,7-8,10,12,16,27H,5-6,9,11H2,1-2H3
InChIKeyIPLXQNRTKMSKRF-UHFFFAOYSA-N
XLogP3.39
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-fluoropropan-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-fluoropropan-2-ol (CID 67259225) is 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-fluoropropan-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-fluoropropan-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-fluoropropan-2-ol is Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CC(O)CF)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-fluoropropan-2-ol?
The InChIKey is IPLXQNRTKMSKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS/c1-13-8-14(2)26-10-15(23-20(26)22-13)5-6-19-24-17(18-4-3-7-28-18)12-25(19)11-16(27)9-21/h3-4,7-8,10,12,16,27H,5-6,9,11H2,1-2H3.
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-fluoropropan-2-ol?
1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-fluoropropan-2-ol has a molecular weight of 399.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-fluoropropan-2-ol is sourced from PubChem (CID 67259225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).