5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole

C25H25FN4O — CID 11560724

IUPAC5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2
InChIKeyWBDLFFDMNWEVTM-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.09
Rot. Bonds7

About 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole

5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole (PubChem CID 11560724) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole
PubChem CID11560724
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2
InChIKeyWBDLFFDMNWEVTM-UHFFFAOYSA-N
XLogP5.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole?
The IUPAC name of 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole (CID 11560724) is 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole.
What is the SMILES notation for 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole?
The canonical SMILES for 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole is Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole?
The InChIKey is WBDLFFDMNWEVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2.
What are the key properties of 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole?
5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole has a molecular weight of 416.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyridin-2-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazole is sourced from PubChem (CID 11560724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).