2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine

C13H16ClN3 — CID 96663652

IUPAC2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3/c14-12-3-1-11(2-4-12)6-8-17-9-13(5-7-15)16-10-17/h1-4,9-10H,5-8,15H2
InChIKeyUQYPBYYRJMYBMG-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.28
Rot. Bonds5

About 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine

2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 96663652) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine
PubChem CID96663652
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3/c14-12-3-1-11(2-4-12)6-8-17-9-13(5-7-15)16-10-17/h1-4,9-10H,5-8,15H2
InChIKeyUQYPBYYRJMYBMG-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797
1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
CID 67751239
2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 82930056
2-(1-but-3-ynylimidazol-4-yl)ethanamine
CID 79982811
[4-(2-aminoethyl)imidazol-1-yl]methanol
CID 175329760
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
4-benzyl-1-(2-phenylethyl)imidazole
CID 23368311
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79982620
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
[1-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 106717906

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine (CID 96663652) is 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine is NCCc1cn(CCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is UQYPBYYRJMYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-12-3-1-11(2-4-12)6-8-17-9-13(5-7-15)16-10-17/h1-4,9-10H,5-8,15H2.
What are the key properties of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine?
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 96663652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).