2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile

C13H10F2N4 — CID 47021773

IUPAC2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile
SMILESN#CCCC(C#N)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C13H10F2N4/c14-10-4-12-13(5-11(10)15)19(8-18-12)7-9(6-17)2-1-3-16/h4-5,8-9H,1-2,7H2
InChIKeyDWPIDPPAVZHBBW-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.76
Rot. Bonds4

About 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile

2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile (PubChem CID 47021773) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile
PubChem CID47021773
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile
SMILESN#CCCC(C#N)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C13H10F2N4/c14-10-4-12-13(5-11(10)15)19(8-18-12)7-9(6-17)2-1-3-16/h4-5,8-9H,1-2,7H2
InChIKeyDWPIDPPAVZHBBW-UHFFFAOYSA-N
XLogP2.76
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile?
The IUPAC name of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile (CID 47021773) is 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile.
What is the SMILES notation for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile?
The canonical SMILES for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile is N#CCCC(C#N)Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile?
The InChIKey is DWPIDPPAVZHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-10-4-12-13(5-11(10)15)19(8-18-12)7-9(6-17)2-1-3-16/h4-5,8-9H,1-2,7H2.
What are the key properties of 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile?
2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile has a molecular weight of 260.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluorobenzimidazol-1-yl)methyl]pentanedinitrile is sourced from PubChem (CID 47021773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).