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

C11H12ClN3 — CID 82472942

IUPAC2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(-c2ccccc2Cl)cn1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-2-4-11(10)15-7-9(5-6-13)14-8-15/h1-4,7-8H,5-6,13H2
InChIKeyQAHOXGQTPBRKGO-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.03
Rot. Bonds3

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

2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 82472942) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
PubChem CID82472942
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(-c2ccccc2Cl)cn1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-2-4-11(10)15-7-9(5-6-13)14-8-15/h1-4,7-8H,5-6,13H2
InChIKeyQAHOXGQTPBRKGO-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
[1-(2-ethylphenyl)imidazol-4-yl]methanamine
CID 82506290
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
1-(2-chlorophenyl)imidazole-4-carboxylic acid
CID 62058406
4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
CID 130482663
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
1-(2-chlorophenyl)-4-(3,5-dimethylphenyl)imidazole
CID 174900546
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863
4-(bromomethyl)-1-(2-fluorophenyl)imidazole
CID 130482556
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978
[1-(2,5-difluorophenyl)imidazol-4-yl]methanamine
CID 82507740

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine (CID 82472942) is 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine is NCCc1cn(-c2ccccc2Cl)cn1.
What is the InChIKey of 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is QAHOXGQTPBRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-3-1-2-4-11(10)15-7-9(5-6-13)14-8-15/h1-4,7-8H,5-6,13H2.
What are the key properties of 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine?
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 82472942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).