4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine

C23H20FN3OS — CID 10644982

IUPAC4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESO=S(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C23H20FN3OS/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-29(28)21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2
InChIKeyJDVWDZJXQUCOPW-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.95
Rot. Bonds7

About 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine

4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine (PubChem CID 10644982) has the molecular formula C23H20FN3OS and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine
PubChem CID10644982
Molecular FormulaC23H20FN3OS
Molecular Weight405.50 g/mol
Exact Mass405.13
IUPAC Name4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESO=S(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C23H20FN3OS/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-29(28)21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2
InChIKeyJDVWDZJXQUCOPW-UHFFFAOYSA-N
XLogP4.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine (CID 10644982) is 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine is O=S(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The InChIKey is JDVWDZJXQUCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS/c24-20-9-7-18(8-10-20)22-23(19-11-13-25-14-12-19)27(17-26-22)15-4-16-29(28)21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16H2.
What are the key properties of 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine has a molecular weight of 405.50 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10644982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).