N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline

C20H23N3O — CID 24948079

IUPACN-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C20H23N3O/c1-16(2)23(13-18-12-21-15-22-18)19-8-6-7-17(11-19)14-24-20-9-4-3-5-10-20/h3-12,15-16H,13-14H2,1-2H3,(H,21,22)
InChIKeyMAILQQKFGSCXAE-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.40
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline (PubChem CID 24948079) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline
PubChem CID24948079
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C20H23N3O/c1-16(2)23(13-18-12-21-15-22-18)19-8-6-7-17(11-19)14-24-20-9-4-3-5-10-20/h3-12,15-16H,13-14H2,1-2H3,(H,21,22)
InChIKeyMAILQQKFGSCXAE-UHFFFAOYSA-N
XLogP4.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline 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 N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline (CID 24948079) is N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1cccc(COc2ccccc2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline?
The InChIKey is MAILQQKFGSCXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16(2)23(13-18-12-21-15-22-18)19-8-6-7-17(11-19)14-24-20-9-4-3-5-10-20/h3-12,15-16H,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-3-(phenoxymethyl)-N-propan-2-ylaniline has a molecular weight of 321.42 g/mol, XLogP of 4.40, 7 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)-3-(phenoxymethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 24948079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).