2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole

C15H17ClFN3 — CID 62376357

IUPAC2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
SMILESFc1ccc2nc(CCl)n(C3CCN4CCCC34)c2c1
InChIInChI=1S/C15H17ClFN3/c16-9-15-18-11-4-3-10(17)8-14(11)20(15)13-5-7-19-6-1-2-12(13)19/h3-4,8,12-13H,1-2,5-7,9H2
InChIKeyWCXAEGIEWBOZBV-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.32
Rot. Bonds2

About 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole

2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole (PubChem CID 62376357) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
PubChem CID62376357
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
SMILESFc1ccc2nc(CCl)n(C3CCN4CCCC34)c2c1
InChIInChI=1S/C15H17ClFN3/c16-9-15-18-11-4-3-10(17)8-14(11)20(15)13-5-7-19-6-1-2-12(13)19/h3-4,8,12-13H,1-2,5-7,9H2
InChIKeyWCXAEGIEWBOZBV-UHFFFAOYSA-N
XLogP3.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)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 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole (CID 62376357) is 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole is Fc1ccc2nc(CCl)n(C3CCN4CCCC34)c2c1.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole?
The InChIKey is WCXAEGIEWBOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-9-15-18-11-4-3-10(17)8-14(11)20(15)13-5-7-19-6-1-2-12(13)19/h3-4,8,12-13H,1-2,5-7,9H2.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole?
2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole has a molecular weight of 293.77 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole is sourced from PubChem (CID 62376357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).