2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride

C11H14Cl3N3 — CID 131880085

IUPAC2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H12ClN3.2ClH/c12-9-3-1-8(2-4-9)11-14-7-10(15-11)5-6-13;;/h1-4,7H,5-6,13H2,(H,14,15);2*1H
InChIKeyBOYOTUKGRWYXOO-UHFFFAOYSA-N
MW294.61 g/mol
LogP3.07
Rot. Bonds3

About 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride

2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride (PubChem CID 131880085) has the molecular formula C11H14Cl3N3 and a molecular weight of 294.61 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
PubChem CID131880085
Molecular FormulaC11H14Cl3N3
Molecular Weight294.61 g/mol
Exact Mass293.03
IUPAC Name2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H12ClN3.2ClH/c12-9-3-1-8(2-4-9)11-14-7-10(15-11)5-6-13;;/h1-4,7H,5-6,13H2,(H,14,15);2*1H
InChIKeyBOYOTUKGRWYXOO-UHFFFAOYSA-N
XLogP3.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride (CID 131880085) is 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride is Cl.Cl.NCCc1cnc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride?
The InChIKey is BOYOTUKGRWYXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3.2ClH/c12-9-3-1-8(2-4-9)11-14-7-10(15-11)5-6-13;;/h1-4,7H,5-6,13H2,(H,14,15);2*1H.
What are the key properties of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride?
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride has a molecular weight of 294.61 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 131880085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).