2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine

C11H12ClN3 — CID 82286818

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c12-9-2-1-3-10(8-9)15-7-6-14-11(15)4-5-13/h1-3,6-8H,4-5,13H2
InChIKeyFWBTYWCFVQSHJN-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.03
Rot. Bonds3

About 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine

2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine (PubChem CID 82286818) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
PubChem CID82286818
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c12-9-2-1-3-10(8-9)15-7-6-14-11(15)4-5-13/h1-3,6-8H,4-5,13H2
InChIKeyFWBTYWCFVQSHJN-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

4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide
CID 55071243
2-(1-pyridin-4-ylimidazol-2-yl)ethanamine
CID 62409640
1-(3-chlorophenyl)imidazol-2-amine
CID 106558369
2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine
CID 63941357
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
CID 82287676
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
1-(3-chlorophenyl)imidazole-2-carbonitrile
CID 84671921
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
2-[1-(3-fluoro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62733441
(1-phenylimidazol-2-yl)methanamine;hydrochloride
CID 162422854

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine (CID 82286818) is 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine is NCCc1nccn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine?
The InChIKey is FWBTYWCFVQSHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-9-2-1-3-10(8-9)15-7-6-14-11(15)4-5-13/h1-3,6-8H,4-5,13H2.
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine?
2-[1-(3-chlorophenyl)imidazol-2-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-(3-chlorophenyl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 82286818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).