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

C10H7ClF4N2 — CID 43660106

IUPAC2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2CC(F)(F)F
InChIInChI=1S/C10H7ClF4N2/c11-4-9-16-7-3-6(12)1-2-8(7)17(9)5-10(13,14)15/h1-3H,4-5H2
InChIKeyXCPWCBDMWGVNBP-UHFFFAOYSA-N
MW266.62 g/mol
LogP3.48
Rot. Bonds2

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

2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 43660106) has the molecular formula C10H7ClF4N2 and a molecular weight of 266.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID43660106
Molecular FormulaC10H7ClF4N2
Molecular Weight266.62 g/mol
Exact Mass266.02
IUPAC Name2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2CC(F)(F)F
InChIInChI=1S/C10H7ClF4N2/c11-4-9-16-7-3-6(12)1-2-8(7)17(9)5-10(13,14)15/h1-3H,4-5H2
InChIKeyXCPWCBDMWGVNBP-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.62
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole (CID 43660106) is 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole is Fc1ccc2c(c1)nc(CCl)n2CC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is XCPWCBDMWGVNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4N2/c11-4-9-16-7-3-6(12)1-2-8(7)17(9)5-10(13,14)15/h1-3H,4-5H2.
What are the key properties of 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole?
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 266.62 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 43660106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).