2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile

C15H17FN4 — CID 82311161

IUPAC2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(CN2CCCCC2)nc2cc(F)ccc21
InChIInChI=1S/C15H17FN4/c16-12-4-5-14-13(10-12)18-15(20(14)9-6-17)11-19-7-2-1-3-8-19/h4-5,10H,1-3,7-9,11H2
InChIKeyOCTBRTFPALXZOY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.68
Rot. Bonds3

About 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile

2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311161) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311161
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(CN2CCCCC2)nc2cc(F)ccc21
InChIInChI=1S/C15H17FN4/c16-12-4-5-14-13(10-12)18-15(20(14)9-6-17)11-19-7-2-1-3-8-19/h4-5,10H,1-3,7-9,11H2
InChIKeyOCTBRTFPALXZOY-UHFFFAOYSA-N
XLogP2.68
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanethioamide
CID 82311919
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82332038
2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
CID 82311641
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile (CID 82311161) is 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile is N#CCn1c(CN2CCCCC2)nc2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is OCTBRTFPALXZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-12-4-5-14-13(10-12)18-15(20(14)9-6-17)11-19-7-2-1-3-8-19/h4-5,10H,1-3,7-9,11H2.
What are the key properties of 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).