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

C20H22FN5OS — CID 123634505

IUPAC1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-1-fluoropropan-2-ol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(F)C(C)O)nc2n1
InChIInChI=1S/C20H22FN5OS/c1-12-9-13(2)25-10-15(23-20(25)22-12)6-7-18-24-16(17-5-4-8-28-17)11-26(18)19(21)14(3)27/h4-5,8-11,14,19,27H,6-7H2,1-3H3
InChIKeyJGNMKRYAJWHNNF-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.91
Rot. Bonds6

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

1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-1-fluoropropan-2-ol (PubChem CID 123634505) 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]-1-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]-1-fluoropropan-2-ol
PubChem CID123634505
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]-1-fluoropropan-2-ol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(F)C(C)O)nc2n1
InChIInChI=1S/C20H22FN5OS/c1-12-9-13(2)25-10-15(23-20(25)22-12)6-7-18-24-16(17-5-4-8-28-17)11-26(18)19(21)14(3)27/h4-5,8-11,14,19,27H,6-7H2,1-3H3
InChIKeyJGNMKRYAJWHNNF-UHFFFAOYSA-N
XLogP3.91
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
3-(Pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
CID 122183046
(3S)-3-fluoro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide
CID 137661853
(4S)-3-[2-[[(1R)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 155520615
US9096589, 1-Methoxy-3-{2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-propan-2-ol
CID 53250192
5,7-Dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]imidazo[1,2-a]pyrimidine
CID 53251307
US9096589, 5,7-Dimethyl-2-[2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-ethyl]-imidazo[1,2-a]pyrimidine
CID 53251308
US9096589, 5,7-Dimethyl-2-[(E)-2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-vinyl]-imidazo[1,2-a]pyrimidine
CID 53251313
US9096589, 5,7-Dimethyl-2-{(E)-2-[4-thiophen-2-yl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-vinyl}-imidazo[1,2-a]pyrimidine
CID 53251469
5,7-Dimethyl-2-{2-[4-thiophen-2-yl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-ethyl}-imidazo[1,2-a]pyrimidine
CID 53251470
US9096589, 5,7-Dimethyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-imidazo[1,2-a]pyrimidine
CID 53251471

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]-1-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]-1-fluoropropan-2-ol (CID 123634505) is 1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-1-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]-1-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]-1-fluoropropan-2-ol is Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(F)C(C)O)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]-1-fluoropropan-2-ol?
The InChIKey is JGNMKRYAJWHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS/c1-12-9-13(2)25-10-15(23-20(25)22-12)6-7-18-24-16(17-5-4-8-28-17)11-26(18)19(21)14(3)27/h4-5,8-11,14,19,27H,6-7H2,1-3H3.
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]-1-fluoropropan-2-ol?
1-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-1-fluoropropan-2-ol has a molecular weight of 399.50 g/mol, XLogP of 3.91, 6 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]-1-fluoropropan-2-ol is sourced from PubChem (CID 123634505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).