N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline

C18H19N3O — CID 24947896

IUPACN-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline
SMILESCN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-21(12-16-11-19-14-20-16)17-8-5-9-18(10-17)22-13-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,19,20)
InChIKeySVKNYMYBJIXAOZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.63
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline

N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline (PubChem CID 24947896) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline
PubChem CID24947896
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline
SMILESCN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-21(12-16-11-19-14-20-16)17-8-5-9-18(10-17)22-13-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,19,20)
InChIKeySVKNYMYBJIXAOZ-UHFFFAOYSA-N
XLogP3.63
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline (CID 24947896) is N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline is CN(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline?
The InChIKey is SVKNYMYBJIXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(12-16-11-19-14-20-16)17-8-5-9-18(10-17)22-13-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,19,20).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline?
N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline has a molecular weight of 293.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-methyl-3-phenylmethoxyaniline is sourced from PubChem (CID 24947896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).