4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole

C21H15FN2O2S — CID 21099522

IUPAC4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1cccc2[nH]cnc12
InChIInChI=1S/C21H15FN2O2S/c22-17-10-6-15(7-11-17)4-5-16-8-12-18(13-9-16)27(25,26)20-3-1-2-19-21(20)24-14-23-19/h1-14H,(H,23,24)/b5-4+
InChIKeyRCKSRRJNZCNSEF-SNAWJCMRSA-N
MW378.43 g/mol
LogP4.71
Rot. Bonds4

About 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole

4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole (PubChem CID 21099522) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole
PubChem CID21099522
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1cccc2[nH]cnc12
InChIInChI=1S/C21H15FN2O2S/c22-17-10-6-15(7-11-17)4-5-16-8-12-18(13-9-16)27(25,26)20-3-1-2-19-21(20)24-14-23-19/h1-14H,(H,23,24)/b5-4+
InChIKeyRCKSRRJNZCNSEF-SNAWJCMRSA-N
XLogP4.71
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole?
The IUPAC name of 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole (CID 21099522) is 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole.
What is the SMILES notation for 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole?
The canonical SMILES for 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole is O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1cccc2[nH]cnc12.
What is the InChIKey of 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole?
The InChIKey is RCKSRRJNZCNSEF-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c22-17-10-6-15(7-11-17)4-5-16-8-12-18(13-9-16)27(25,26)20-3-1-2-19-21(20)24-14-23-19/h1-14H,(H,23,24)/b5-4+.
What are the key properties of 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole?
4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole has a molecular weight of 378.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-1H-benzimidazole is sourced from PubChem (CID 21099522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).