1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile

C14H7F2N3 — CID 171652040

IUPAC1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)ncn2-c1c(F)cccc1F
InChIInChI=1S/C14H7F2N3/c15-10-2-1-3-11(16)14(10)19-8-18-12-6-9(7-17)4-5-13(12)19/h1-6,8H
InChIKeyAWRURXWYWXTTMU-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.18
Rot. Bonds1

About 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile

1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile (PubChem CID 171652040) has the molecular formula C14H7F2N3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
PubChem CID171652040
Molecular FormulaC14H7F2N3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)ncn2-c1c(F)cccc1F
InChIInChI=1S/C14H7F2N3/c15-10-2-1-3-11(16)14(10)19-8-18-12-6-9(7-17)4-5-13(12)19/h1-6,8H
InChIKeyAWRURXWYWXTTMU-UHFFFAOYSA-N
XLogP3.18
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzonitrile
CID 43657383
3,4-bis(benzimidazol-1-yl)benzonitrile
CID 122546288
1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768643
1-[3-(2-propan-2-yloxyphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768638
3-[5-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]-2-fluorophenyl]benzonitrile
CID 46207970
4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 138526953
2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
1-prop-2-ynylbenzimidazole-5-carbonitrile
CID 134298627
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile
CID 137458422
2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65035579
2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile
CID 67310929

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile (CID 171652040) is 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)ncn2-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile?
The InChIKey is AWRURXWYWXTTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3/c15-10-2-1-3-11(16)14(10)19-8-18-12-6-9(7-17)4-5-13(12)19/h1-6,8H.
What are the key properties of 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile?
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile has a molecular weight of 255.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 171652040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).