3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine

C24H23FN4OS — CID 11532153

IUPAC3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCSC2)cc1
InChIInChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2
InChIKeyLKRTVYMJTLSROG-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.00
Rot. Bonds7

About 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine

3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine (PubChem CID 11532153) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine
PubChem CID11532153
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCSC2)cc1
InChIInChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2
InChIKeyLKRTVYMJTLSROG-UHFFFAOYSA-N
XLogP5.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine?
The IUPAC name of 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine (CID 11532153) is 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine?
The canonical SMILES for 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine is Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCSC2)cc1.
What is the InChIKey of 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine?
The InChIKey is LKRTVYMJTLSROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2.
What are the key properties of 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine?
3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine has a molecular weight of 434.54 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]-1,3-thiazolidine is sourced from PubChem (CID 11532153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).