1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine

C13H8ClFIN3 — CID 107637336

IUPAC1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C13H8ClFIN3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyQAZQVIWGFZABLV-UHFFFAOYSA-N
MW387.58 g/mol
LogP4.00
Rot. Bonds1

About 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine

1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 107637336) has the molecular formula C13H8ClFIN3 and a molecular weight of 387.58 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
PubChem CID107637336
Molecular FormulaC13H8ClFIN3
Molecular Weight387.58 g/mol
Exact Mass386.94
IUPAC Name1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C13H8ClFIN3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyQAZQVIWGFZABLV-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107607210
5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
CID 43661747
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 43661787

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine (CID 107637336) is 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)ccc2n1-c1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is QAZQVIWGFZABLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFIN3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine?
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 387.58 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107637336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).