[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine

C13H17N3O — CID 82463581

IUPAC[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
SMILESCCCOc1ccc(-c2ncc(CN)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-2-7-17-12-5-3-10(4-6-12)13-15-9-11(8-14)16-13/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyXEYXSXOXPPIWAE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.32
Rot. Bonds5

About [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine

[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 82463581) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID82463581
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
SMILESCCCOc1ccc(-c2ncc(CN)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-2-7-17-12-5-3-10(4-6-12)13-15-9-11(8-14)16-13/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyXEYXSXOXPPIWAE-UHFFFAOYSA-N
XLogP2.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 82168270
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463568
[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine
CID 82506278
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
CID 63108990
4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
CID 82463603
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82463571
6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 103695252
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
5-(aminomethyl)-3-(4-propoxyphenyl)-1H-pyridazin-6-one
CID 82446164

Frequently Asked Questions

What is the IUPAC name of [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine (CID 82463581) is [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine is CCCOc1ccc(-c2ncc(CN)[nH]2)cc1.
What is the InChIKey of [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is XEYXSXOXPPIWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-7-17-12-5-3-10(4-6-12)13-15-9-11(8-14)16-13/h3-6,9H,2,7-8,14H2,1H3,(H,15,16).
What are the key properties of [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine?
[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82463581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).