5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole

C15H10Cl3FN2 — CID 135325021

IUPAC5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole
SMILESCn1c(C(Cl)(Cl)Cl)nc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H10Cl3FN2/c1-21-13-7-4-10(9-2-5-11(19)6-3-9)8-12(13)20-14(21)15(16,17)18/h2-8H,1H3
InChIKeyGNLGXLIRPAEORW-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.21
Rot. Bonds1

About 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole

5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole (PubChem CID 135325021) has the molecular formula C15H10Cl3FN2 and a molecular weight of 343.62 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole
PubChem CID135325021
Molecular FormulaC15H10Cl3FN2
Molecular Weight343.62 g/mol
Exact Mass341.99
IUPAC Name5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole
SMILESCn1c(C(Cl)(Cl)Cl)nc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H10Cl3FN2/c1-21-13-7-4-10(9-2-5-11(19)6-3-9)8-12(13)20-14(21)15(16,17)18/h2-8H,1H3
InChIKeyGNLGXLIRPAEORW-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.21
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 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole (CID 135325021) is 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole is Cn1c(C(Cl)(Cl)Cl)nc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole?
The InChIKey is GNLGXLIRPAEORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2/c1-21-13-7-4-10(9-2-5-11(19)6-3-9)8-12(13)20-14(21)15(16,17)18/h2-8H,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole?
5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole has a molecular weight of 343.62 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-2-(trichloromethyl)benzimidazole is sourced from PubChem (CID 135325021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).