2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole

C14H8F3IN2 — CID 168555765

IUPAC2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2nc3ccccc3[nH]2)ccc1I
InChIInChI=1S/C14H8F3IN2/c15-14(16,17)9-7-8(5-6-10(9)18)13-19-11-3-1-2-4-12(11)20-13/h1-7H,(H,19,20)
InChIKeyGUZQTIJEOHJYDM-UHFFFAOYSA-N
MW388.13 g/mol
LogP4.85
Rot. Bonds1

About 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole

2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 168555765) has the molecular formula C14H8F3IN2 and a molecular weight of 388.13 g/mol. Its IUPAC name is 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID168555765
Molecular FormulaC14H8F3IN2
Molecular Weight388.13 g/mol
Exact Mass387.97
IUPAC Name2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2nc3ccccc3[nH]2)ccc1I
InChIInChI=1S/C14H8F3IN2/c15-14(16,17)9-7-8(5-6-10(9)18)13-19-11-3-1-2-4-12(11)20-13/h1-7H,(H,19,20)
InChIKeyGUZQTIJEOHJYDM-UHFFFAOYSA-N
XLogP4.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.13
LogP ≤ 54.85
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-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
CID 168555470
2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 68698972
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;zinc
CID 174639851

Frequently Asked Questions

What is the IUPAC name of 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 168555765) is 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole is FC(F)(F)c1cc(-c2nc3ccccc3[nH]2)ccc1I.
What is the InChIKey of 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is GUZQTIJEOHJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3IN2/c15-14(16,17)9-7-8(5-6-10(9)18)13-19-11-3-1-2-4-12(11)20-13/h1-7H,(H,19,20).
What are the key properties of 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 388.13 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).