4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol

C19H13FN2O — CID 171714482

IUPAC4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol
SMILESOc1ccc(-c2ccc3c(c2)ncn3-c2cccc(F)c2)cc1
InChIInChI=1S/C19H13FN2O/c20-15-2-1-3-16(11-15)22-12-21-18-10-14(6-9-19(18)22)13-4-7-17(23)8-5-13/h1-12,23H
InChIKeyUMDMOYZHTVEMAJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.54
Rot. Bonds2

About 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol

4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol (PubChem CID 171714482) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol
PubChem CID171714482
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol
SMILESOc1ccc(-c2ccc3c(c2)ncn3-c2cccc(F)c2)cc1
InChIInChI=1S/C19H13FN2O/c20-15-2-1-3-16(11-15)22-12-21-18-10-14(6-9-19(18)22)13-4-7-17(23)8-5-13/h1-12,23H
InChIKeyUMDMOYZHTVEMAJ-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol?
The IUPAC name of 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol (CID 171714482) is 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol.
What is the SMILES notation for 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol?
The canonical SMILES for 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol is Oc1ccc(-c2ccc3c(c2)ncn3-c2cccc(F)c2)cc1.
What is the InChIKey of 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol?
The InChIKey is UMDMOYZHTVEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c20-15-2-1-3-16(11-15)22-12-21-18-10-14(6-9-19(18)22)13-4-7-17(23)8-5-13/h1-12,23H.
What are the key properties of 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol?
4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol has a molecular weight of 304.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)benzimidazol-5-yl]phenol is sourced from PubChem (CID 171714482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).