1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole

C10H8ClF3N2 — CID 2895009

IUPAC1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C(F)(F)C(F)Cl
InChIInChI=1S/C10H8ClF3N2/c1-6-15-7-4-2-3-5-8(7)16(6)10(13,14)9(11)12/h2-5,9H,1H3
InChIKeySGTQURWMCRMXGV-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole

1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole (PubChem CID 2895009) has the molecular formula C10H8ClF3N2 and a molecular weight of 248.64 g/mol. Its IUPAC name is 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole
PubChem CID2895009
Molecular FormulaC10H8ClF3N2
Molecular Weight248.64 g/mol
Exact Mass248.03
IUPAC Name1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C(F)(F)C(F)Cl
InChIInChI=1S/C10H8ClF3N2/c1-6-15-7-4-2-3-5-8(7)16(6)10(13,14)9(11)12/h2-5,9H,1H3
InChIKeySGTQURWMCRMXGV-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 53.43
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 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole?
The IUPAC name of 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole (CID 2895009) is 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1C(F)(F)C(F)Cl.
What is the InChIKey of 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole?
The InChIKey is SGTQURWMCRMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2/c1-6-15-7-4-2-3-5-8(7)16(6)10(13,14)9(11)12/h2-5,9H,1H3.
What are the key properties of 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole?
1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole has a molecular weight of 248.64 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,1,2-trifluoroethyl)-2-methylbenzimidazole is sourced from PubChem (CID 2895009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).