2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C19H20FN5S — CID 53251472

IUPAC2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCF)nc2n1
InChIInChI=1S/C19H20FN5S/c1-13-10-14(2)25-11-15(22-19(25)21-13)5-6-18-23-16(12-24(18)8-7-20)17-4-3-9-26-17/h3-4,9-12H,5-8H2,1-2H3
InChIKeyGMKMZGNWMOSVQS-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.03
Rot. Bonds6

About 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 53251472) has the molecular formula C19H20FN5S and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID53251472
Molecular FormulaC19H20FN5S
Molecular Weight369.47 g/mol
Exact Mass369.14
IUPAC Name2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCF)nc2n1
InChIInChI=1S/C19H20FN5S/c1-13-10-14(2)25-11-15(22-19(25)21-13)5-6-18-23-16(12-24(18)8-7-20)17-4-3-9-26-17/h3-4,9-12H,5-8H2,1-2H3
InChIKeyGMKMZGNWMOSVQS-UHFFFAOYSA-N
XLogP4.03
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
Agl 2043
CID 9817165
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
N-(2-aminoethyl)-12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093427
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 53251472) is 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCF)nc2n1.
What is the InChIKey of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is GMKMZGNWMOSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5S/c1-13-10-14(2)25-11-15(22-19(25)21-13)5-6-18-23-16(12-24(18)8-7-20)17-4-3-9-26-17/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 369.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).