6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole

C12H11F4N3 — CID 55226691

IUPAC6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3(C(F)(F)F)CCNC3)[nH]c2c1
InChIInChI=1S/C12H11F4N3/c13-7-1-2-8-9(5-7)19-10(18-8)11(12(14,15)16)3-4-17-6-11/h1-2,5,17H,3-4,6H2,(H,18,19)
InChIKeyIIHYPUVBLGCQJT-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.50
Rot. Bonds1

About 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole

6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 55226691) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID55226691
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3(C(F)(F)F)CCNC3)[nH]c2c1
InChIInChI=1S/C12H11F4N3/c13-7-1-2-8-9(5-7)19-10(18-8)11(12(14,15)16)3-4-17-6-11/h1-2,5,17H,3-4,6H2,(H,18,19)
InChIKeyIIHYPUVBLGCQJT-UHFFFAOYSA-N
XLogP2.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 63708519
5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 81136885
3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine
CID 142474666
1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane
CID 103295284
5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole
CID 63144065
3-phenyl-3-(trifluoromethyl)pyrrolidine
CID 131256316
2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 106827844
6-fluoro-2-(trichloromethyl)-1H-benzimidazole
CID 11622976
6-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,3-benzothiazole
CID 79511726
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-chloro-1-ethyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]benzimidazole
CID 115472564

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole (CID 55226691) is 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole is Fc1ccc2nc(C3(C(F)(F)F)CCNC3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is IIHYPUVBLGCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c13-7-1-2-8-9(5-7)19-10(18-8)11(12(14,15)16)3-4-17-6-11/h1-2,5,17H,3-4,6H2,(H,18,19).
What are the key properties of 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 273.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 55226691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).