2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine

C11H12ClN3 — CID 114717018

IUPAC2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c12-10-3-1-2-4-11(10)15-8-14-7-9(15)5-6-13/h1-4,7-8H,5-6,13H2
InChIKeyRHRGYGYVOZUCQA-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.03
Rot. Bonds3

About 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine

2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 114717018) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
PubChem CID114717018
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c12-10-3-1-2-4-11(10)15-8-14-7-9(15)5-6-13/h1-4,7-8H,5-6,13H2
InChIKeyRHRGYGYVOZUCQA-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-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
CID 103482103
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine (CID 114717018) is 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine is NCCc1cncn1-c1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is RHRGYGYVOZUCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-3-1-2-4-11(10)15-8-14-7-9(15)5-6-13/h1-4,7-8H,5-6,13H2.
What are the key properties of 2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine?
2-[3-(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-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114717018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).