4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol

C13H7Cl2FN2O — CID 136751628

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
SMILESOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C13H7Cl2FN2O/c14-8-4-11-12(5-9(8)15)18-13(17-11)7-2-1-6(19)3-10(7)16/h1-5,19H,(H,17,18)
InChIKeyHDAWRJVKLPTTRP-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.38
Rot. Bonds1

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol

4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol (PubChem CID 136751628) has the molecular formula C13H7Cl2FN2O and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
PubChem CID136751628
Molecular FormulaC13H7Cl2FN2O
Molecular Weight297.12 g/mol
Exact Mass295.99
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
SMILESOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C13H7Cl2FN2O/c14-8-4-11-12(5-9(8)15)18-13(17-11)7-2-1-6(19)3-10(7)16/h1-5,19H,(H,17,18)
InChIKeyHDAWRJVKLPTTRP-UHFFFAOYSA-N
XLogP4.38
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136751588
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol (CID 136751628) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol is Oc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol?
The InChIKey is HDAWRJVKLPTTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O/c14-8-4-11-12(5-9(8)15)18-13(17-11)7-2-1-6(19)3-10(7)16/h1-5,19H,(H,17,18).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol has a molecular weight of 297.12 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136751628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).