3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile

C10H4F3N3O — CID 134239714

IUPAC3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2ncn(C(=O)C(F)(F)F)c2c1
InChIInChI=1S/C10H4F3N3O/c11-10(12,13)9(17)16-5-15-7-2-1-6(4-14)3-8(7)16/h1-3,5H
InChIKeyUZFLZHYWDSYHGO-UHFFFAOYSA-N
MW239.16 g/mol
LogP2.11
Rot. Bonds

About 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile

3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile (PubChem CID 134239714) has the molecular formula C10H4F3N3O and a molecular weight of 239.16 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile
PubChem CID134239714
Molecular FormulaC10H4F3N3O
Molecular Weight239.16 g/mol
Exact Mass239.03
IUPAC Name3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2ncn(C(=O)C(F)(F)F)c2c1
InChIInChI=1S/C10H4F3N3O/c11-10(12,13)9(17)16-5-15-7-2-1-6(4-14)3-8(7)16/h1-3,5H
InChIKeyUZFLZHYWDSYHGO-UHFFFAOYSA-N
XLogP2.11
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-diazobenzimidazole-1-sulfonamide
CID 134298677
3-(4-hydroxybutyl)benzimidazole-5-carbonitrile
CID 58655947
3-(3-chloropropyl)benzimidazole-5-carbonitrile
CID 118386855
3-(4-cyano-2-fluorophenyl)benzotriazole-5-carboxylic acid
CID 82769135
methyl 2-(5-cyanobenzimidazol-1-yl)acetate
CID 10798711
4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 138526953
3-(3,4-dimethylphenyl)benzimidazole-5-carbonitrile
CID 122422823
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide
CID 104714977
3-(1-iodoethyl)-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 143205864
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
CID 171652040
5-(benzimidazol-1-yl)-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid
CID 164747509

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile (CID 134239714) is 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile is N#Cc1ccc2ncn(C(=O)C(F)(F)F)c2c1.
What is the InChIKey of 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile?
The InChIKey is UZFLZHYWDSYHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N3O/c11-10(12,13)9(17)16-5-15-7-2-1-6(4-14)3-8(7)16/h1-3,5H.
What are the key properties of 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile?
3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile has a molecular weight of 239.16 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroacetyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 134239714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).