4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide

C31H22FN5O2S — CID 172674906

IUPAC4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(-n2c(-c3ccc(F)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H22FN5O2S/c32-25-14-12-24(13-15-25)30-35-28(22-8-3-1-4-9-22)29(23-10-5-2-6-11-23)37(30)26-16-18-27(19-17-26)40(38,39)36-31-33-20-7-21-34-31/h1-21H,(H,33,34,36)
InChIKeyOKFMHBFUZXJEDQ-UHFFFAOYSA-N
MW547.62 g/mol
LogP6.60
Rot. Bonds7

About 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide

4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 172674906) has the molecular formula C31H22FN5O2S and a molecular weight of 547.62 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID172674906
Molecular FormulaC31H22FN5O2S
Molecular Weight547.62 g/mol
Exact Mass547.15
IUPAC Name4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(-n2c(-c3ccc(F)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H22FN5O2S/c32-25-14-12-24(13-15-25)30-35-28(22-8-3-1-4-9-22)29(23-10-5-2-6-11-23)37(30)26-16-18-27(19-17-26)40(38,39)36-31-33-20-7-21-34-31/h1-21H,(H,33,34,36)
InChIKeyOKFMHBFUZXJEDQ-UHFFFAOYSA-N
XLogP6.60
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide (CID 172674906) is 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(-n2c(-c3ccc(F)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is OKFMHBFUZXJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN5O2S/c32-25-14-12-24(13-15-25)30-35-28(22-8-3-1-4-9-22)29(23-10-5-2-6-11-23)37(30)26-16-18-27(19-17-26)40(38,39)36-31-33-20-7-21-34-31/h1-21H,(H,33,34,36).
What are the key properties of 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 547.62 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 172674906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).