1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole

C22H19FN2O — CID 16729028

IUPAC1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole
SMILESFc1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)15-26-22(18-6-2-1-3-7-18)14-25-16-24-20-8-4-5-9-21(20)25/h1-13,16,22H,14-15H2
InChIKeyKDNSMEAAGOIIEF-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.13
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole

1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole (PubChem CID 16729028) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole
PubChem CID16729028
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole
SMILESFc1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)15-26-22(18-6-2-1-3-7-18)14-25-16-24-20-8-4-5-9-21(20)25/h1-13,16,22H,14-15H2
InChIKeyKDNSMEAAGOIIEF-UHFFFAOYSA-N
XLogP5.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole (CID 16729028) is 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole is Fc1ccc(COC(Cn2cnc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole?
The InChIKey is KDNSMEAAGOIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)15-26-22(18-6-2-1-3-7-18)14-25-16-24-20-8-4-5-9-21(20)25/h1-13,16,22H,14-15H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole?
1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole has a molecular weight of 346.41 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole is sourced from PubChem (CID 16729028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).