6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole

C12H9Cl2F3N2 — CID 106216922

IUPAC6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
SMILESFC(F)(F)C1(n2c(CCl)nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C12H9Cl2F3N2/c13-6-10-18-8-2-1-7(14)5-9(8)19(10)11(3-4-11)12(15,16)17/h1-2,5H,3-4,6H2
InChIKeyFNNNCRDZUFMCSB-UHFFFAOYSA-N
MW309.12 g/mol
LogP4.48
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole

6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole (PubChem CID 106216922) has the molecular formula C12H9Cl2F3N2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
PubChem CID106216922
Molecular FormulaC12H9Cl2F3N2
Molecular Weight309.12 g/mol
Exact Mass308.01
IUPAC Name6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
SMILESFC(F)(F)C1(n2c(CCl)nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C12H9Cl2F3N2/c13-6-10-18-8-2-1-7(14)5-9(8)19(10)11(3-4-11)12(15,16)17/h1-2,5H,3-4,6H2
InChIKeyFNNNCRDZUFMCSB-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 54.48
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 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole (CID 106216922) is 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole is FC(F)(F)C1(n2c(CCl)nc3ccc(Cl)cc32)CC1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The InChIKey is FNNNCRDZUFMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2/c13-6-10-18-8-2-1-7(14)5-9(8)19(10)11(3-4-11)12(15,16)17/h1-2,5H,3-4,6H2.
What are the key properties of 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole has a molecular weight of 309.12 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole is sourced from PubChem (CID 106216922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).