4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline

C18H19N3O — CID 143884976

IUPAC4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
SMILESCNc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-19-15-8-6-14(7-9-15)10-11-22-18-5-3-2-4-16(18)17-12-20-13-21-17/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)
InChIKeyFDPNKWLYODGHQY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.74
Rot. Bonds6

About 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline

4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline (PubChem CID 143884976) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
PubChem CID143884976
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
SMILESCNc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-19-15-8-6-14(7-9-15)10-11-22-18-5-3-2-4-16(18)17-12-20-13-21-17/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)
InChIKeyFDPNKWLYODGHQY-UHFFFAOYSA-N
XLogP3.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147
5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
CID 52933449
1-hydroxy-3-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-1-(oxan-4-yl)urea
CID 86673016
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
CID 70926091
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(2-nitrophenyl)propan-2-one
CID 159470931
N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
CID 58294111
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline?
The IUPAC name of 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline (CID 143884976) is 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline.
What is the SMILES notation for 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline?
The canonical SMILES for 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline is CNc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline?
The InChIKey is FDPNKWLYODGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-19-15-8-6-14(7-9-15)10-11-22-18-5-3-2-4-16(18)17-12-20-13-21-17/h2-9,12-13,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline?
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline has a molecular weight of 293.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline is sourced from PubChem (CID 143884976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).