1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride

C11H15Cl2N3 — CID 91654248

IUPAC1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
SMILESCC(N)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C11H13N3.2ClH/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14;;/h2-9H,12H2,1H3;2*1H
InChIKeyGIGVQPSJEXMKPL-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride

1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride (PubChem CID 91654248) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
PubChem CID91654248
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
SMILESCC(N)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C11H13N3.2ClH/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14;;/h2-9H,12H2,1H3;2*1H
InChIKeyGIGVQPSJEXMKPL-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
CID 55278574
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
CID 66512415
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
CID 115725692
1-[4-[(1S)-1-azidoethyl]phenyl]imidazole
CID 104853460
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
CID 117327392
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride (CID 91654248) is 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride is CC(N)c1ccc(-n2ccnc2)cc1.Cl.Cl.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride?
The InChIKey is GIGVQPSJEXMKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2ClH/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14;;/h2-9H,12H2,1H3;2*1H.
What are the key properties of 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride?
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride has a molecular weight of 260.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride is sourced from PubChem (CID 91654248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).