1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine

C13H7Cl2FIN3 — CID 107575900

IUPAC1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H7Cl2FIN3/c14-8-4-7(5-9(15)12(8)16)20-11-2-1-6(17)3-10(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeySTZLGINMLBNPSF-UHFFFAOYSA-N
MW422.03 g/mol
LogP4.66
Rot. Bonds1

About 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine

1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine (PubChem CID 107575900) has the molecular formula C13H7Cl2FIN3 and a molecular weight of 422.03 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
PubChem CID107575900
Molecular FormulaC13H7Cl2FIN3
Molecular Weight422.03 g/mol
Exact Mass420.90
IUPAC Name1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H7Cl2FIN3/c14-8-4-7(5-9(15)12(8)16)20-11-2-1-6(17)3-10(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeySTZLGINMLBNPSF-UHFFFAOYSA-N
XLogP4.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.03
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107607210
5-(2-amino-5-iodobenzimidazol-1-yl)-2-fluorobenzonitrile
CID 66081402
5-iodo-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66082790
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
CID 66080003
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
CID 107575892
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
CID 103586598
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine (CID 107575900) is 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)ccc2n1-c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine?
The InChIKey is STZLGINMLBNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FIN3/c14-8-4-7(5-9(15)12(8)16)20-11-2-1-6(17)3-10(11)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine?
1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine has a molecular weight of 422.03 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 107575900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).