5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one

C25H26FN3O3 — CID 17123369

IUPAC5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C25H26FN3O3/c1-28-21-10-6-19(12-22(21)29(2)25(28)30)16-32-23-11-7-18(13-24(23)31-3)15-27-14-17-4-8-20(26)9-5-17/h4-13,27H,14-16H2,1-3H3
InChIKeyORMULBRIZSRIFS-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.89
Rot. Bonds8

About 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 17123369) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID17123369
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C25H26FN3O3/c1-28-21-10-6-19(12-22(21)29(2)25(28)30)16-32-23-11-7-18(13-24(23)31-3)15-27-14-17-4-8-20(26)9-5-17/h4-13,27H,14-16H2,1-3H3
InChIKeyORMULBRIZSRIFS-UHFFFAOYSA-N
XLogP3.89
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one 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 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one (CID 17123369) is 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one is COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is ORMULBRIZSRIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-28-21-10-6-19(12-22(21)29(2)25(28)30)16-32-23-11-7-18(13-24(23)31-3)15-27-14-17-4-8-20(26)9-5-17/h4-13,27H,14-16H2,1-3H3.
What are the key properties of 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 17123369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).