4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride

C15H14ClFN2O — CID 168868332

IUPAC4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CCn2cnc3cc(F)ccc32)cc1
InChIInChI=1S/C15H13FN2O.ClH/c16-12-3-6-15-14(9-12)17-10-18(15)8-7-11-1-4-13(19)5-2-11;/h1-6,9-10,19H,7-8H2;1H
InChIKeyDTDYRDQSTMJEDV-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.55
Rot. Bonds3

About 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride

4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride (PubChem CID 168868332) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride
PubChem CID168868332
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CCn2cnc3cc(F)ccc32)cc1
InChIInChI=1S/C15H13FN2O.ClH/c16-12-3-6-15-14(9-12)17-10-18(15)8-7-11-1-4-13(19)5-2-11;/h1-6,9-10,19H,7-8H2;1H
InChIKeyDTDYRDQSTMJEDV-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride (CID 168868332) is 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride is Cl.Oc1ccc(CCn2cnc3cc(F)ccc32)cc1.
What is the InChIKey of 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride?
The InChIKey is DTDYRDQSTMJEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O.ClH/c16-12-3-6-15-14(9-12)17-10-18(15)8-7-11-1-4-13(19)5-2-11;/h1-6,9-10,19H,7-8H2;1H.
What are the key properties of 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride?
4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride has a molecular weight of 292.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 168868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).