N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine

C21H24FN3O — CID 78870193

IUPACN-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
SMILESCN(CCCOc1ccc(F)cc1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H24FN3O/c1-24(13-5-15-26-20-10-8-19(22)9-11-20)17-21-23-12-14-25(21)16-18-6-3-2-4-7-18/h2-4,6-12,14H,5,13,15-17H2,1H3
InChIKeyZXCLOPCORHHXPG-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.97
Rot. Bonds9

About N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine

N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine (PubChem CID 78870193) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
PubChem CID78870193
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
SMILESCN(CCCOc1ccc(F)cc1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C21H24FN3O/c1-24(13-5-15-26-20-10-8-19(22)9-11-20)17-21-23-12-14-25(21)16-18-6-3-2-4-7-18/h2-4,6-12,14H,5,13,15-17H2,1H3
InChIKeyZXCLOPCORHHXPG-UHFFFAOYSA-N
XLogP3.97
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
CID 133324440
N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine
CID 87017978
N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
CID 71988778
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 2182131
N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
CID 133324481
[1-[2-[benzyl(methyl)amino]ethyl]imidazol-2-yl]methanol
CID 166381144
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 46994794
N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine
CID 71988775
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111650323

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine (CID 78870193) is N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine is CN(CCCOc1ccc(F)cc1)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
The InChIKey is ZXCLOPCORHHXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-24(13-5-15-26-20-10-8-19(22)9-11-20)17-21-23-12-14-25(21)16-18-6-3-2-4-7-18/h2-4,6-12,14H,5,13,15-17H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine has a molecular weight of 353.44 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 78870193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).