5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine

C13H7Cl2F2N3 — CID 66078502

IUPAC5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H7Cl2F2N3/c14-7-4-10-12(5-9(7)17)20(13(18)19-10)11-2-1-6(16)3-8(11)15/h1-5H,(H2,18,19)
InChIKeyFPZFVKGFJDBFCG-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.19
Rot. Bonds1

About 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66078502) has the molecular formula C13H7Cl2F2N3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
PubChem CID66078502
Molecular FormulaC13H7Cl2F2N3
Molecular Weight314.12 g/mol
Exact Mass313.00
IUPAC Name5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H7Cl2F2N3/c14-7-4-10-12(5-9(7)17)20(13(18)19-10)11-2-1-6(16)3-8(11)15/h1-5H,(H2,18,19)
InChIKeyFPZFVKGFJDBFCG-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine (CID 66078502) is 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is FPZFVKGFJDBFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3/c14-7-4-10-12(5-9(7)17)20(13(18)19-10)11-2-1-6(16)3-8(11)15/h1-5H,(H2,18,19).
What are the key properties of 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 314.12 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66078502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).