4-(difluoromethoxy)-5-iodo-1H-benzimidazole

C8H5F2IN2O — CID 131094172

IUPAC4-(difluoromethoxy)-5-iodo-1H-benzimidazole
SMILESFC(F)Oc1c(I)ccc2[nH]cnc12
InChIInChI=1S/C8H5F2IN2O/c9-8(10)14-7-4(11)1-2-5-6(7)13-3-12-5/h1-3,8H,(H,12,13)
InChIKeyZXBJCYDEWYOAJE-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.77
Rot. Bonds2

About 4-(difluoromethoxy)-5-iodo-1H-benzimidazole

4-(difluoromethoxy)-5-iodo-1H-benzimidazole (PubChem CID 131094172) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-iodo-1H-benzimidazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-iodo-1H-benzimidazole
PubChem CID131094172
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name4-(difluoromethoxy)-5-iodo-1H-benzimidazole
SMILESFC(F)Oc1c(I)ccc2[nH]cnc12
InChIInChI=1S/C8H5F2IN2O/c9-8(10)14-7-4(11)1-2-5-6(7)13-3-12-5/h1-3,8H,(H,12,13)
InChIKeyZXBJCYDEWYOAJE-UHFFFAOYSA-N
XLogP2.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131117109
4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131502091
5-(difluoromethoxy)-1H-benzimidazole-4-thiol
CID 131169605
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218
4-chloro-5-iodo-1H-benzimidazole
CID 130951078
4,5-dimethoxy-1H-benzimidazole
CID 54423692
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113
7-(difluoromethoxy)-3H-benzimidazole-5-carbaldehyde
CID 131435625
4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131092157
7-(difluoromethoxy)-1H-benzimidazol-4-ol
CID 130827709
4-(difluoromethyl)-6-iodo-1H-benzimidazole
CID 130952734

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-iodo-1H-benzimidazole?
The IUPAC name of 4-(difluoromethoxy)-5-iodo-1H-benzimidazole (CID 131094172) is 4-(difluoromethoxy)-5-iodo-1H-benzimidazole.
What is the SMILES notation for 4-(difluoromethoxy)-5-iodo-1H-benzimidazole?
The canonical SMILES for 4-(difluoromethoxy)-5-iodo-1H-benzimidazole is FC(F)Oc1c(I)ccc2[nH]cnc12.
What is the InChIKey of 4-(difluoromethoxy)-5-iodo-1H-benzimidazole?
The InChIKey is ZXBJCYDEWYOAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)14-7-4(11)1-2-5-6(7)13-3-12-5/h1-3,8H,(H,12,13).
What are the key properties of 4-(difluoromethoxy)-5-iodo-1H-benzimidazole?
4-(difluoromethoxy)-5-iodo-1H-benzimidazole has a molecular weight of 310.04 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-iodo-1H-benzimidazole is sourced from PubChem (CID 131094172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).