4,6-difluoro-2-iodo-1H-benzimidazole

C7H3F2IN2 — CID 143699120

IUPAC4,6-difluoro-2-iodo-1H-benzimidazole
SMILESFc1cc(F)c2nc(I)[nH]c2c1
InChIInChI=1S/C7H3F2IN2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12)
InChIKeyADICXWSVFMMMPJ-UHFFFAOYSA-N
MW280.01 g/mol
LogP2.45
Rot. Bonds

About 4,6-difluoro-2-iodo-1H-benzimidazole

4,6-difluoro-2-iodo-1H-benzimidazole (PubChem CID 143699120) has the molecular formula C7H3F2IN2 and a molecular weight of 280.01 g/mol. Its IUPAC name is 4,6-difluoro-2-iodo-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-iodo-1H-benzimidazole
PubChem CID143699120
Molecular FormulaC7H3F2IN2
Molecular Weight280.01 g/mol
Exact Mass279.93
IUPAC Name4,6-difluoro-2-iodo-1H-benzimidazole
SMILESFc1cc(F)c2nc(I)[nH]c2c1
InChIInChI=1S/C7H3F2IN2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12)
InChIKeyADICXWSVFMMMPJ-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.01
LogP ≤ 52.45
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-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
CID 81463474
2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
CID 81462663
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine
CID 81449334
4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
CID 84629087
2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 81450045
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81455041
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
CID 81463475

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-iodo-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-iodo-1H-benzimidazole (CID 143699120) is 4,6-difluoro-2-iodo-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-iodo-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-iodo-1H-benzimidazole is Fc1cc(F)c2nc(I)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-iodo-1H-benzimidazole?
The InChIKey is ADICXWSVFMMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12).
What are the key properties of 4,6-difluoro-2-iodo-1H-benzimidazole?
4,6-difluoro-2-iodo-1H-benzimidazole has a molecular weight of 280.01 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-iodo-1H-benzimidazole is sourced from PubChem (CID 143699120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).