5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine

C13H8Cl2FN3 — CID 43659570

IUPAC5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C13H8Cl2FN3/c14-7-2-4-11-10(5-7)18-13(17)19(11)12-6-8(15)1-3-9(12)16/h1-6H,(H2,17,18)
InChIKeyKNNAITRJLLOCLK-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.05
Rot. Bonds1

About 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine

5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine (PubChem CID 43659570) has the molecular formula C13H8Cl2FN3 and a molecular weight of 296.13 g/mol. Its IUPAC name is 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
PubChem CID43659570
Molecular FormulaC13H8Cl2FN3
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C13H8Cl2FN3/c14-7-2-4-11-10(5-7)18-13(17)19(11)12-6-8(15)1-3-9(12)16/h1-6H,(H2,17,18)
InChIKeyKNNAITRJLLOCLK-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
CID 43659401
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
CID 43659409
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine (CID 43659570) is 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1-c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
The InChIKey is KNNAITRJLLOCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3/c14-7-2-4-11-10(5-7)18-13(17)19(11)12-6-8(15)1-3-9(12)16/h1-6H,(H2,17,18).
What are the key properties of 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine?
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine has a molecular weight of 296.13 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 43659570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).