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

C13H8ClFIN3 — CID 107607210

IUPAC1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccc(I)cc1Cl
InChIInChI=1S/C13H8ClFIN3/c14-9-6-8(16)2-4-11(9)19-12-3-1-7(15)5-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyTVNMOBIGZSZBTA-UHFFFAOYSA-N
MW387.58 g/mol
LogP4.00
Rot. Bonds1

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

1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 107607210) has the molecular formula C13H8ClFIN3 and a molecular weight of 387.58 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
PubChem CID107607210
Molecular FormulaC13H8ClFIN3
Molecular Weight387.58 g/mol
Exact Mass386.94
IUPAC Name1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccc(I)cc1Cl
InChIInChI=1S/C13H8ClFIN3/c14-9-6-8(16)2-4-11(9)19-12-3-1-7(15)5-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyTVNMOBIGZSZBTA-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

1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
CID 43661747
1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
CID 107575900
5-iodo-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66082790
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
CID 103586598
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(2-bromo-4-fluorophenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077914
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine (CID 107607210) is 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)ccc2n1-c1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is TVNMOBIGZSZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFIN3/c14-9-6-8(16)2-4-11(9)19-12-3-1-7(15)5-10(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine?
1-(2-chloro-4-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-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107607210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).