2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine

C15H21FN4 — CID 82332038

IUPAC2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2cc(F)ccc2n1CCN1CCCC1
InChIInChI=1S/C15H21FN4/c16-12-3-4-14-13(11-12)18-15(5-6-17)20(14)10-9-19-7-1-2-8-19/h3-4,11H,1-2,5-10,17H2
InChIKeyJYZHADOWJKEESS-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.77
Rot. Bonds5

About 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine

2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine (PubChem CID 82332038) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
PubChem CID82332038
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2cc(F)ccc2n1CCN1CCCC1
InChIInChI=1S/C15H21FN4/c16-12-3-4-14-13(11-12)18-15(5-6-17)20(14)10-9-19-7-1-2-8-19/h3-4,11H,1-2,5-10,17H2
InChIKeyJYZHADOWJKEESS-UHFFFAOYSA-N
XLogP1.77
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanethioamide
CID 82311919
2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46309591
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
CID 62993390
2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311161
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
4-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326625
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
CID 84805700
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine (CID 82332038) is 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine is NCCc1nc2cc(F)ccc2n1CCN1CCCC1.
What is the InChIKey of 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is JYZHADOWJKEESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c16-12-3-4-14-13(11-12)18-15(5-6-17)20(14)10-9-19-7-1-2-8-19/h3-4,11H,1-2,5-10,17H2.
What are the key properties of 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 276.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82332038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).