5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one

C21H16FN3O2 — CID 73362937

IUPAC5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one
SMILESO=C1N=c2ccc(NCc3cccc(OCc4ccc(F)cc4)c3)cc2=N1
InChIInChI=1S/C21H16FN3O2/c22-16-6-4-14(5-7-16)13-27-18-3-1-2-15(10-18)12-23-17-8-9-19-20(11-17)25-21(26)24-19/h1-11,23H,12-13H2
InChIKeyDVVPUOTVCBYALE-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.39
Rot. Bonds6

About 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one

5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one (PubChem CID 73362937) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one.

Molecular Properties

Compound Name5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one
PubChem CID73362937
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one
SMILESO=C1N=c2ccc(NCc3cccc(OCc4ccc(F)cc4)c3)cc2=N1
InChIInChI=1S/C21H16FN3O2/c22-16-6-4-14(5-7-16)13-27-18-3-1-2-15(10-18)12-23-17-8-9-19-20(11-17)25-21(26)24-19/h1-11,23H,12-13H2
InChIKeyDVVPUOTVCBYALE-UHFFFAOYSA-N
XLogP3.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-benzyl-3-phenylmethoxyaniline
CID 54801332
4-fluoro-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796489
5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
CID 73362904
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one?
The IUPAC name of 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one (CID 73362937) is 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one.
What is the SMILES notation for 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one?
The canonical SMILES for 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one is O=C1N=c2ccc(NCc3cccc(OCc4ccc(F)cc4)c3)cc2=N1.
What is the InChIKey of 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one?
The InChIKey is DVVPUOTVCBYALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-16-6-4-14(5-7-16)13-27-18-3-1-2-15(10-18)12-23-17-8-9-19-20(11-17)25-21(26)24-19/h1-11,23H,12-13H2.
What are the key properties of 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one?
5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one has a molecular weight of 361.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one is sourced from PubChem (CID 73362937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).