2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole

C33H29F2N11S — CID 70096885

IUPAC2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCc1c(Cn2ccnc2-c2cccc(F)c2F)nc2ncccn12.CCc1c(Cn2ccnc2-c2nccs2)nc2ncccn12
InChIInChI=1S/C18H15F2N5.C15H14N6S/c1-2-15-14(23-18-22-7-4-9-25(15)18)11-24-10-8-21-17(24)12-5-3-6-13(19)16(12)20;1-2-12-11(19-15-18-4-3-7-21(12)15)10-20-8-5-16-13(20)14-17-6-9-22-14/h3-10H,2,11H2,1H3;3-9H,2,10H2,1H3
InChIKeyODJVVVGGJIOKSG-UHFFFAOYSA-N
MW649.74 g/mol
LogP6.14
Rot. Bonds8

About 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole

2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 70096885) has the molecular formula C33H29F2N11S and a molecular weight of 649.74 g/mol. Its IUPAC name is 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID70096885
Molecular FormulaC33H29F2N11S
Molecular Weight649.74 g/mol
Exact Mass649.23
IUPAC Name2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCc1c(Cn2ccnc2-c2cccc(F)c2F)nc2ncccn12.CCc1c(Cn2ccnc2-c2nccs2)nc2ncccn12
InChIInChI=1S/C18H15F2N5.C15H14N6S/c1-2-15-14(23-18-22-7-4-9-25(15)18)11-24-10-8-21-17(24)12-5-3-6-13(19)16(12)20;1-2-12-11(19-15-18-4-3-7-21(12)15)10-20-8-5-16-13(20)14-17-6-9-22-14/h3-10H,2,11H2,1H3;3-9H,2,10H2,1H3
InChIKeyODJVVVGGJIOKSG-UHFFFAOYSA-N
XLogP6.14
TPSA108.91 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500649.74
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole 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 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole (CID 70096885) is 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole is CCc1c(Cn2ccnc2-c2cccc(F)c2F)nc2ncccn12.CCc1c(Cn2ccnc2-c2nccs2)nc2ncccn12.
What is the InChIKey of 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is ODJVVVGGJIOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5.C15H14N6S/c1-2-15-14(23-18-22-7-4-9-25(15)18)11-24-10-8-21-17(24)12-5-3-6-13(19)16(12)20;1-2-12-11(19-15-18-4-3-7-21(12)15)10-20-8-5-16-13(20)14-17-6-9-22-14/h3-10H,2,11H2,1H3;3-9H,2,10H2,1H3.
What are the key properties of 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 649.74 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 70096885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).