2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole

C14H7Cl2F3N2 — CID 81455237

IUPAC2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7Cl2F3N2/c15-9-3-7(4-10(16)6-9)13-20-11-2-1-8(14(17,18)19)5-12(11)21-13/h1-6H,(H,20,21)
InChIKeyRRHPUXNSUCXWLQ-UHFFFAOYSA-N
MW331.12 g/mol
LogP5.56
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455237) has the molecular formula C14H7Cl2F3N2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455237
Molecular FormulaC14H7Cl2F3N2
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7Cl2F3N2/c15-9-3-7(4-10(16)6-9)13-20-11-2-1-8(14(17,18)19)5-12(11)21-13/h1-6H,(H,20,21)
InChIKeyRRHPUXNSUCXWLQ-UHFFFAOYSA-N
XLogP5.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.12
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11588862
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81455237) is 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is RRHPUXNSUCXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2/c15-9-3-7(4-10(16)6-9)13-20-11-2-1-8(14(17,18)19)5-12(11)21-13/h1-6H,(H,20,21).
What are the key properties of 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 331.12 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).