4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole

C9H6ClF3N2 — CID 60978005

IUPAC4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
SMILESFC(F)(F)Cc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C9H6ClF3N2/c10-5-2-1-3-6-8(5)15-7(14-6)4-9(11,12)13/h1-3H,4H2,(H,14,15)
InChIKeySXNAXSRVIIWZQT-UHFFFAOYSA-N
MW234.61 g/mol
LogP3.32
Rot. Bonds1

About 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole

4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole (PubChem CID 60978005) has the molecular formula C9H6ClF3N2 and a molecular weight of 234.61 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
PubChem CID60978005
Molecular FormulaC9H6ClF3N2
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
SMILESFC(F)(F)Cc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C9H6ClF3N2/c10-5-2-1-3-6-8(5)15-7(14-6)4-9(11,12)13/h1-3H,4H2,(H,14,15)
InChIKeySXNAXSRVIIWZQT-UHFFFAOYSA-N
XLogP3.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole (CID 60978005) is 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole is FC(F)(F)Cc1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The InChIKey is SXNAXSRVIIWZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2/c10-5-2-1-3-6-8(5)15-7(14-6)4-9(11,12)13/h1-3H,4H2,(H,14,15).
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole has a molecular weight of 234.61 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 60978005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).