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2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C19H20F3N3O2S — CID 155076701

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(C(C)(C)C)ccc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C19H20F3N3O2S/c1-5-28(26,27)15-8-12(18(2,3)4)6-7-13(15)14-10-25-11-23-16(19(20,21)22)9-17(25)24-14/h6-11H,5H2,1-4H3
InChIKeyVZOJWIDAOUYVNO-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.51
Rot. Bonds3

About 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 155076701) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID155076701
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(C(C)(C)C)ccc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C19H20F3N3O2S/c1-5-28(26,27)15-8-12(18(2,3)4)6-7-13(15)14-10-25-11-23-16(19(20,21)22)9-17(25)24-14/h6-11H,5H2,1-4H3
InChIKeyVZOJWIDAOUYVNO-UHFFFAOYSA-N
XLogP4.51
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 155076701) is 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCS(=O)(=O)c1cc(C(C)(C)C)ccc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is VZOJWIDAOUYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-5-28(26,27)15-8-12(18(2,3)4)6-7-13(15)14-10-25-11-23-16(19(20,21)22)9-17(25)24-14/h6-11H,5H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 411.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 155076701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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