N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline

C19H21N3O — CID 59728067

IUPACN-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-15(2)22(13-16-12-20-14-21-16)17-8-10-19(11-9-17)23-18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3,(H,20,21)
InChIKeyMXPNOHJNCUBSRX-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.62
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline (PubChem CID 59728067) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
PubChem CID59728067
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-15(2)22(13-16-12-20-14-21-16)17-8-10-19(11-9-17)23-18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3,(H,20,21)
InChIKeyMXPNOHJNCUBSRX-UHFFFAOYSA-N
XLogP4.62
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline
CID 59728086
N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
CID 70720481
5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
CID 67692655
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)ethanamine;dihydrochloride
CID 22335194
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 59728197
N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
CID 107367343
4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24947146
5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
CID 14535975
5-(4-phenoxyphenyl)pyrimidine;propane
CID 153341834
N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
CID 10353167
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide
CID 53185087

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline (CID 59728067) is N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline?
The InChIKey is MXPNOHJNCUBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15(2)22(13-16-12-20-14-21-16)17-8-10-19(11-9-17)23-18-6-4-3-5-7-18/h3-12,14-15H,13H2,1-2H3,(H,20,21).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline has a molecular weight of 307.40 g/mol, XLogP of 4.62, 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)-4-phenoxy-N-propan-2-ylaniline is sourced from PubChem (CID 59728067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).