2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol

C16H22FN3O — CID 82311726

IUPAC2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
SMILESCCC(c1nc2cc(F)ccc2n1CCO)N1CCCC1
InChIInChI=1S/C16H22FN3O/c1-2-14(19-7-3-4-8-19)16-18-13-11-12(17)5-6-15(13)20(16)9-10-21/h5-6,11,14,21H,2-4,7-10H2,1H3
InChIKeyHZLBKFJMZAUWEN-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.71
Rot. Bonds5

About 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol

2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol (PubChem CID 82311726) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
PubChem CID82311726
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
SMILESCCC(c1nc2cc(F)ccc2n1CCO)N1CCCC1
InChIInChI=1S/C16H22FN3O/c1-2-14(19-7-3-4-8-19)16-18-13-11-12(17)5-6-15(13)20(16)9-10-21/h5-6,11,14,21H,2-4,7-10H2,1H3
InChIKeyHZLBKFJMZAUWEN-UHFFFAOYSA-N
XLogP2.71
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol 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 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol (CID 82311726) is 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol is CCC(c1nc2cc(F)ccc2n1CCO)N1CCCC1.
What is the InChIKey of 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol?
The InChIKey is HZLBKFJMZAUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-2-14(19-7-3-4-8-19)16-18-13-11-12(17)5-6-15(13)20(16)9-10-21/h5-6,11,14,21H,2-4,7-10H2,1H3.
What are the key properties of 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol?
2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol has a molecular weight of 291.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).