2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile

C12H9F2N3 — CID 119054488

IUPAC2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile
SMILESN#CC(F)(F)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C12H9F2N3/c13-12(14,7-15)11-16-9-3-1-2-4-10(9)17(11)8-5-6-8/h1-4,8H,5-6H2
InChIKeyXFCAIGKPHJETAZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.99
Rot. Bonds2

About 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile

2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile (PubChem CID 119054488) has the molecular formula C12H9F2N3 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile.

Molecular Properties

Compound Name2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile
PubChem CID119054488
Molecular FormulaC12H9F2N3
Molecular Weight233.22 g/mol
Exact Mass233.08
IUPAC Name2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile
SMILESN#CC(F)(F)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C12H9F2N3/c13-12(14,7-15)11-16-9-3-1-2-4-10(9)17(11)8-5-6-8/h1-4,8H,5-6H2
InChIKeyXFCAIGKPHJETAZ-UHFFFAOYSA-N
XLogP2.99
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile?
The IUPAC name of 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile (CID 119054488) is 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile.
What is the SMILES notation for 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile?
The canonical SMILES for 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile is N#CC(F)(F)c1nc2ccccc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile?
The InChIKey is XFCAIGKPHJETAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3/c13-12(14,7-15)11-16-9-3-1-2-4-10(9)17(11)8-5-6-8/h1-4,8H,5-6H2.
What are the key properties of 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile?
2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile has a molecular weight of 233.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile is sourced from PubChem (CID 119054488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).