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

C8H5F2IN2 — CID 130952734

IUPAC4-(difluoromethyl)-6-iodo-1H-benzimidazole
SMILESFC(F)c1cc(I)cc2[nH]cnc12
InChIInChI=1S/C8H5F2IN2/c9-8(10)5-1-4(11)2-6-7(5)13-3-12-6/h1-3,8H,(H,12,13)
InChIKeyBSUCAKIYUWGFDQ-UHFFFAOYSA-N
MW294.04 g/mol
LogP3.11
Rot. Bonds1

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

4-(difluoromethyl)-6-iodo-1H-benzimidazole (PubChem CID 130952734) has the molecular formula C8H5F2IN2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-1H-benzimidazole.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-1H-benzimidazole
PubChem CID130952734
Molecular FormulaC8H5F2IN2
Molecular Weight294.04 g/mol
Exact Mass293.95
IUPAC Name4-(difluoromethyl)-6-iodo-1H-benzimidazole
SMILESFC(F)c1cc(I)cc2[nH]cnc12
InChIInChI=1S/C8H5F2IN2/c9-8(10)5-1-4(11)2-6-7(5)13-3-12-6/h1-3,8H,(H,12,13)
InChIKeyBSUCAKIYUWGFDQ-UHFFFAOYSA-N
XLogP3.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 53.11
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 4-(difluoromethyl)-6-iodo-1H-benzimidazole?
The IUPAC name of 4-(difluoromethyl)-6-iodo-1H-benzimidazole (CID 130952734) is 4-(difluoromethyl)-6-iodo-1H-benzimidazole.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-1H-benzimidazole?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-1H-benzimidazole is FC(F)c1cc(I)cc2[nH]cnc12.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-1H-benzimidazole?
The InChIKey is BSUCAKIYUWGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2/c9-8(10)5-1-4(11)2-6-7(5)13-3-12-6/h1-3,8H,(H,12,13).
What are the key properties of 4-(difluoromethyl)-6-iodo-1H-benzimidazole?
4-(difluoromethyl)-6-iodo-1H-benzimidazole has a molecular weight of 294.04 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-iodo-1H-benzimidazole is sourced from PubChem (CID 130952734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).