6-iodo-4-(trifluoromethyl)-1H-benzimidazole

C8H4F3IN2 — CID 130981899

IUPAC6-iodo-4-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc(I)cc2[nH]cnc12
InChIInChI=1S/C8H4F3IN2/c9-8(10,11)5-1-4(12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
InChIKeyGAMUGVXCMDKSOB-UHFFFAOYSA-N
MW312.03 g/mol
LogP3.19
Rot. Bonds

About 6-iodo-4-(trifluoromethyl)-1H-benzimidazole

6-iodo-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 130981899) has the molecular formula C8H4F3IN2 and a molecular weight of 312.03 g/mol. Its IUPAC name is 6-iodo-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-iodo-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID130981899
Molecular FormulaC8H4F3IN2
Molecular Weight312.03 g/mol
Exact Mass311.94
IUPAC Name6-iodo-4-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc(I)cc2[nH]cnc12
InChIInChI=1S/C8H4F3IN2/c9-8(10,11)5-1-4(12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
InChIKeyGAMUGVXCMDKSOB-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.03
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-iodo-4-(trifluoromethyl)-1H-benzimidazole (CID 130981899) is 6-iodo-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-iodo-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-iodo-4-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1cc(I)cc2[nH]cnc12.
What is the InChIKey of 6-iodo-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is GAMUGVXCMDKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2/c9-8(10,11)5-1-4(12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14).
What are the key properties of 6-iodo-4-(trifluoromethyl)-1H-benzimidazole?
6-iodo-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 312.03 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 130981899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).