1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C21H25N3 — CID 55378386

IUPAC1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(-n3ccnc3)cc2)cc1C
InChIInChI=1S/C21H25N3/c1-15-11-17(3)20(12-16(15)2)13-23-18(4)19-5-7-21(8-6-19)24-10-9-22-14-24/h5-12,14,18,23H,13H2,1-4H3
InChIKeyOYOOEZWLIJHFRW-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 55378386) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID55378386
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(-n3ccnc3)cc2)cc1C
InChIInChI=1S/C21H25N3/c1-15-11-17(3)20(12-16(15)2)13-23-18(4)19-5-7-21(8-6-19)24-10-9-22-14-24/h5-12,14,18,23H,13H2,1-4H3
InChIKeyOYOOEZWLIJHFRW-UHFFFAOYSA-N
XLogP4.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 32660252
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138
(1S)-N-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 9466865
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
N-[(5-bromothiophen-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 47030408
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
CID 103779743
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 55378386) is 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNC(C)c2ccc(-n3ccnc3)cc2)cc1C.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is OYOOEZWLIJHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-15-11-17(3)20(12-16(15)2)13-23-18(4)19-5-7-21(8-6-19)24-10-9-22-14-24/h5-12,14,18,23H,13H2,1-4H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 319.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 55378386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).