4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine

C18H19FN4OS — CID 69243247

IUPAC4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine
SMILESCS(=O)c1nccc(-c2c(-c3ccc(F)cc3)ncn2C(C)(C)C)n1
InChIInChI=1S/C18H19FN4OS/c1-18(2,3)23-11-21-15(12-5-7-13(19)8-6-12)16(23)14-9-10-20-17(22-14)25(4)24/h5-11H,1-4H3
InChIKeySBBOUGYYUQJJQX-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.64
Rot. Bonds3

About 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine

4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine (PubChem CID 69243247) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine.

Molecular Properties

Compound Name4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine
PubChem CID69243247
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine
SMILESCS(=O)c1nccc(-c2c(-c3ccc(F)cc3)ncn2C(C)(C)C)n1
InChIInChI=1S/C18H19FN4OS/c1-18(2,3)23-11-21-15(12-5-7-13(19)8-6-12)16(23)14-9-10-20-17(22-14)25(4)24/h5-11H,1-4H3
InChIKeySBBOUGYYUQJJQX-UHFFFAOYSA-N
XLogP3.64
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine?
The IUPAC name of 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine (CID 69243247) is 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine.
What is the SMILES notation for 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine?
The canonical SMILES for 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine is CS(=O)c1nccc(-c2c(-c3ccc(F)cc3)ncn2C(C)(C)C)n1.
What is the InChIKey of 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine?
The InChIKey is SBBOUGYYUQJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-18(2,3)23-11-21-15(12-5-7-13(19)8-6-12)16(23)14-9-10-20-17(22-14)25(4)24/h5-11H,1-4H3.
What are the key properties of 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine?
4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine has a molecular weight of 358.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine is sourced from PubChem (CID 69243247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).