2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole

C15H13FN2O — CID 974483

IUPAC2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole
SMILESCn1c(COc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C15H13FN2O/c1-18-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyUELQPMYVOWTTFY-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.29
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole

2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole (PubChem CID 974483) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole
PubChem CID974483
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole
SMILESCn1c(COc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C15H13FN2O/c1-18-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyUELQPMYVOWTTFY-UHFFFAOYSA-N
XLogP3.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole (CID 974483) is 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole is Cn1c(COc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole?
The InChIKey is UELQPMYVOWTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-18-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole?
2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole has a molecular weight of 256.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 974483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).