2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole

C19H12FIN2 — CID 66841194

IUPAC2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole
SMILESFc1ccccc1-c1ccc(-c2nc3ccc(I)cc3[nH]2)cc1
InChIInChI=1S/C19H12FIN2/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(21)11-18(17)23-19/h1-11H,(H,22,23)
InChIKeyJYZOZSNMIYEFOR-UHFFFAOYSA-N
MW414.22 g/mol
LogP5.64
Rot. Bonds2

About 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole

2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole (PubChem CID 66841194) has the molecular formula C19H12FIN2 and a molecular weight of 414.22 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole
PubChem CID66841194
Molecular FormulaC19H12FIN2
Molecular Weight414.22 g/mol
Exact Mass414.00
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole
SMILESFc1ccccc1-c1ccc(-c2nc3ccc(I)cc3[nH]2)cc1
InChIInChI=1S/C19H12FIN2/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(21)11-18(17)23-19/h1-11H,(H,22,23)
InChIKeyJYZOZSNMIYEFOR-UHFFFAOYSA-N
XLogP5.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.22
LogP ≤ 55.64
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

6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 52940686
2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide
CID 52941877
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1H-benzimidazole-5-carboxamide
CID 122690335
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
3-tert-butyl-5-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]-4-methyl-1,2-oxazole;hydrochloride
CID 157251459
1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158696276
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
1,4-bis(2-fluorophenyl)benzene
CID 58121760
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole (CID 66841194) is 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole is Fc1ccccc1-c1ccc(-c2nc3ccc(I)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole?
The InChIKey is JYZOZSNMIYEFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FIN2/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(21)11-18(17)23-19/h1-11H,(H,22,23).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole?
2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole has a molecular weight of 414.22 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole is sourced from PubChem (CID 66841194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).