1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile

C13H9F4N3 — CID 79659766

IUPAC1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(C(F)(F)C(F)F)n2C1CC1
InChIInChI=1S/C13H9F4N3/c14-11(15)13(16,17)12-19-9-5-7(6-18)1-4-10(9)20(12)8-2-3-8/h1,4-5,8,11H,2-3H2
InChIKeyCRZCZICAYXORRJ-UHFFFAOYSA-N
MW283.23 g/mol
LogP3.60
Rot. Bonds3

About 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile (PubChem CID 79659766) has the molecular formula C13H9F4N3 and a molecular weight of 283.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
PubChem CID79659766
Molecular FormulaC13H9F4N3
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Name1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(C(F)(F)C(F)F)n2C1CC1
InChIInChI=1S/C13H9F4N3/c14-11(15)13(16,17)12-19-9-5-7(6-18)1-4-10(9)20(12)8-2-3-8/h1,4-5,8,11H,2-3H2
InChIKeyCRZCZICAYXORRJ-UHFFFAOYSA-N
XLogP3.60
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
CID 115950372
1-cyclopropyl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941812
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
CID 65040320
2-(1-cyclopropylbenzimidazol-2-yl)-2,2-difluoroacetonitrile
CID 119054488
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152
1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile (CID 79659766) is 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)nc(C(F)(F)C(F)F)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile?
The InChIKey is CRZCZICAYXORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3/c14-11(15)13(16,17)12-19-9-5-7(6-18)1-4-10(9)20(12)8-2-3-8/h1,4-5,8,11H,2-3H2.
What are the key properties of 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile has a molecular weight of 283.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 79659766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).