2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole

C14H7Cl2F3N2O — CID 69245551

IUPAC2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESFC(F)(F)Oc1ccc(-n2c(Cl)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C14H7Cl2F3N2O/c15-8-1-6-11-12(7-8)21(13(16)20-11)9-2-4-10(5-3-9)22-14(17,18)19/h1-7H
InChIKeyQWCYRSSLIHRMKX-UHFFFAOYSA-N
MW347.12 g/mol
LogP5.23
Rot. Bonds2

About 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole

2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole (PubChem CID 69245551) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole
PubChem CID69245551
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESFC(F)(F)Oc1ccc(-n2c(Cl)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C14H7Cl2F3N2O/c15-8-1-6-11-12(7-8)21(13(16)20-11)9-2-4-10(5-3-9)22-14(17,18)19/h1-7H
InChIKeyQWCYRSSLIHRMKX-UHFFFAOYSA-N
XLogP5.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.12
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole?
The IUPAC name of 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole (CID 69245551) is 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole.
What is the SMILES notation for 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole?
The canonical SMILES for 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole is FC(F)(F)Oc1ccc(-n2c(Cl)nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole?
The InChIKey is QWCYRSSLIHRMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c15-8-1-6-11-12(7-8)21(13(16)20-11)9-2-4-10(5-3-9)22-14(17,18)19/h1-7H.
What are the key properties of 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole?
2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole has a molecular weight of 347.12 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-[4-(trifluoromethoxy)phenyl]benzimidazole is sourced from PubChem (CID 69245551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).