(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine

C12H13N3 — CID 55278574

IUPAC(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H13N3/c1-2-12(13)10-3-5-11(6-4-10)15-8-7-14-9-15/h2-9,12H,1,13H2/t12-/m1/s1
InChIKeyZSPXKIHUMOQXAU-GFCCVEGCSA-N
MW199.26 g/mol
LogP2.06
Rot. Bonds3

About (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine

(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine (PubChem CID 55278574) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
PubChem CID55278574
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H13N3/c1-2-12(13)10-3-5-11(6-4-10)15-8-7-14-9-15/h2-9,12H,1,13H2/t12-/m1/s1
InChIKeyZSPXKIHUMOQXAU-GFCCVEGCSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
CID 66512415
1-pyridin-4-ylprop-2-en-1-amine
CID 55293732
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
(4-imidazol-1-ylphenyl)arsane
CID 173134933
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine (CID 55278574) is (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine?
The InChIKey is ZSPXKIHUMOQXAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-12(13)10-3-5-11(6-4-10)15-8-7-14-9-15/h2-9,12H,1,13H2/t12-/m1/s1.
What are the key properties of (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine?
(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine has a molecular weight of 199.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55278574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).