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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Related Compounds

4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15604480
3-tert-butyl-5-(4-fluorophenyl)imidazole-4-carbaldehyde
CID 10681861
4-[5-(4-fluorophenyl)-3-(2-fluoropropan-2-yl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 162424582
N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine
CID 10295871
(5S)-2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 160766811
1-[[(5S)-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]indole
CID 59640914
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-2-sulfonyl-1H-pyrimidine
CID 22722069
6-[3-(1,1-difluoro-2-methylbutan-2-yl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
CID 146410177
(2S)-2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propan-1-ol
CID 12052053
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
3-(2-methylsulfanylpyrimidin-4-yl)-5-(2-methylsulfinylpyrimidin-4-yl)benzoic acid
CID 167248758
2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900144

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).