2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole

C9H5ClF4N2 — CID 84804304

IUPAC2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(Cl)n2CC(F)(F)F
InChIInChI=1S/C9H5ClF4N2/c10-8-15-6-3-5(11)1-2-7(6)16(8)4-9(12,13)14/h1-3H,4H2
InChIKeyFEYRWPBCOYXQDD-UHFFFAOYSA-N
MW252.60 g/mol
LogP3.39
Rot. Bonds1

About 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole

2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 84804304) has the molecular formula C9H5ClF4N2 and a molecular weight of 252.60 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID84804304
Molecular FormulaC9H5ClF4N2
Molecular Weight252.60 g/mol
Exact Mass252.01
IUPAC Name2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(Cl)n2CC(F)(F)F
InChIInChI=1S/C9H5ClF4N2/c10-8-15-6-3-5(11)1-2-7(6)16(8)4-9(12,13)14/h1-3H,4H2
InChIKeyFEYRWPBCOYXQDD-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.60
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
CID 84791133
1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone
CID 83428808
2-(1-chloroethyl)-5-fluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763471
2-(chloromethyl)-5-fluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazole
CID 63828636
2-(1-chloroethyl)-5-iodo-1-(2,2,2-trifluoroethyl)benzimidazole
CID 66081017
2-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzimidazole
CID 115502173
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
3-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 43666167
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
3-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 43666168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole (CID 84804304) is 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole is Fc1ccc2c(c1)nc(Cl)n2CC(F)(F)F.
What is the InChIKey of 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is FEYRWPBCOYXQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4N2/c10-8-15-6-3-5(11)1-2-7(6)16(8)4-9(12,13)14/h1-3H,4H2.
What are the key properties of 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 252.60 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 84804304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).