2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole

C14H7ClF3IN2 — CID 103222495

IUPAC2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(I)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7ClF3IN2/c15-9-5-7(1-3-10(9)19)13-20-11-4-2-8(14(16,17)18)6-12(11)21-13/h1-6H,(H,20,21)
InChIKeyPGDKJGUMCHVUNR-UHFFFAOYSA-N
MW422.58 g/mol
LogP5.51
Rot. Bonds1

About 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 103222495) has the molecular formula C14H7ClF3IN2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID103222495
Molecular FormulaC14H7ClF3IN2
Molecular Weight422.58 g/mol
Exact Mass421.93
IUPAC Name2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(I)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H7ClF3IN2/c15-9-5-7(1-3-10(9)19)13-20-11-4-2-8(14(16,17)18)6-12(11)21-13/h1-6H,(H,20,21)
InChIKeyPGDKJGUMCHVUNR-UHFFFAOYSA-N
XLogP5.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11588862
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 162662664
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 103222495) is 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3ccc(I)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is PGDKJGUMCHVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3IN2/c15-9-5-7(1-3-10(9)19)13-20-11-4-2-8(14(16,17)18)6-12(11)21-13/h1-6H,(H,20,21).
What are the key properties of 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 422.58 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 103222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).