3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile

C12H11F2N3 — CID 82146074

IUPAC3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
SMILESCCc1nc2cc(F)c(F)cc2n1CCC#N
InChIInChI=1S/C12H11F2N3/c1-2-12-16-10-6-8(13)9(14)7-11(10)17(12)5-3-4-15/h6-7H,2-3,5H2,1H3
InChIKeyQTFGQDJCUKADLE-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile

3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile (PubChem CID 82146074) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
PubChem CID82146074
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
SMILESCCc1nc2cc(F)c(F)cc2n1CCC#N
InChIInChI=1S/C12H11F2N3/c1-2-12-16-10-6-8(13)9(14)7-11(10)17(12)5-3-4-15/h6-7H,2-3,5H2,1H3
InChIKeyQTFGQDJCUKADLE-UHFFFAOYSA-N
XLogP2.79
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146243
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
CID 83967829
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978
4-(2-butyl-5,6-dichlorobenzimidazol-1-yl)butanenitrile
CID 94757417
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
CID 94757335
4-[5,6-difluoro-2-(2-fluorophenyl)benzimidazol-1-yl]butanenitrile
CID 94757427
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile?
The IUPAC name of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile (CID 82146074) is 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile?
The canonical SMILES for 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile is CCc1nc2cc(F)c(F)cc2n1CCC#N.
What is the InChIKey of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile?
The InChIKey is QTFGQDJCUKADLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-2-12-16-10-6-8(13)9(14)7-11(10)17(12)5-3-4-15/h6-7H,2-3,5H2,1H3.
What are the key properties of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile?
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile has a molecular weight of 235.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile is sourced from PubChem (CID 82146074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).