5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole

C13H6Cl3FN2 — CID 82004589

IUPAC5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl
InChIInChI=1S/C13H6Cl3FN2/c14-7-4-10-11(5-8(7)15)19-13(18-10)6-2-1-3-9(17)12(6)16/h1-5H,(H,18,19)
InChIKeyPYAHNIGAKFAICL-UHFFFAOYSA-N
MW315.56 g/mol
LogP5.33
Rot. Bonds1

About 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole

5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole (PubChem CID 82004589) has the molecular formula C13H6Cl3FN2 and a molecular weight of 315.56 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
PubChem CID82004589
Molecular FormulaC13H6Cl3FN2
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl
InChIInChI=1S/C13H6Cl3FN2/c14-7-4-10-11(5-8(7)15)19-13(18-10)6-2-1-3-9(17)12(6)16/h1-5H,(H,18,19)
InChIKeyPYAHNIGAKFAICL-UHFFFAOYSA-N
XLogP5.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole (CID 82004589) is 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole is Fc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl.
What is the InChIKey of 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The InChIKey is PYAHNIGAKFAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FN2/c14-7-4-10-11(5-8(7)15)19-13(18-10)6-2-1-3-9(17)12(6)16/h1-5H,(H,18,19).
What are the key properties of 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole has a molecular weight of 315.56 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 82004589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).