2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile

C9H5F2N3 — CID 64724109

IUPAC2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
SMILESN#CCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C9H5F2N3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1H2,(H,13,14)
InChIKeyHZSGOYORNBQVSL-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.91
Rot. Bonds1

About 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile

2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile (PubChem CID 64724109) has the molecular formula C9H5F2N3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
PubChem CID64724109
Molecular FormulaC9H5F2N3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
SMILESN#CCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C9H5F2N3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1H2,(H,13,14)
InChIKeyHZSGOYORNBQVSL-UHFFFAOYSA-N
XLogP1.91
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile (CID 64724109) is 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile is N#CCc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile?
The InChIKey is HZSGOYORNBQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1H2,(H,13,14).
What are the key properties of 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile?
2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile has a molecular weight of 193.16 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 64724109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).