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

C14H19FN4 — CID 82310602

IUPAC2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
SMILESNCCn1c(CN2CCCC2)nc2cc(F)ccc21
InChIInChI=1S/C14H19FN4/c15-11-3-4-13-12(9-11)17-14(19(13)8-5-16)10-18-6-1-2-7-18/h3-4,9H,1-2,5-8,10,16H2
InChIKeySZDYVZFGZSRATR-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.73
Rot. Bonds4

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

2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine (PubChem CID 82310602) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
PubChem CID82310602
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
SMILESNCCn1c(CN2CCCC2)nc2cc(F)ccc21
InChIInChI=1S/C14H19FN4/c15-11-3-4-13-12(9-11)17-14(19(13)8-5-16)10-18-6-1-2-7-18/h3-4,9H,1-2,5-8,10,16H2
InChIKeySZDYVZFGZSRATR-UHFFFAOYSA-N
XLogP1.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82332038
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanethioamide
CID 82311919
2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311161
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
CID 82310634
2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
CID 82311641
2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
CID 84805700
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781192

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine (CID 82310602) is 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine is NCCn1c(CN2CCCC2)nc2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine?
The InChIKey is SZDYVZFGZSRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c15-11-3-4-13-12(9-11)17-14(19(13)8-5-16)10-18-6-1-2-7-18/h3-4,9H,1-2,5-8,10,16H2.
What are the key properties of 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine?
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine has a molecular weight of 262.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82310602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).