2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol

C12H10N2O — CID 176535228

IUPAC2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol
SMILESC=C=Cc1ccc(O)c(-c2cnc[nH]2)c1
InChIInChI=1S/C12H10N2O/c1-2-3-9-4-5-12(15)10(6-9)11-7-13-8-14-11/h3-8,15H,1H2,(H,13,14)
InChIKeyQJEABSSOPZJHDF-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.58
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol

2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol (PubChem CID 176535228) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol
PubChem CID176535228
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol
SMILESC=C=Cc1ccc(O)c(-c2cnc[nH]2)c1
InChIInChI=1S/C12H10N2O/c1-2-3-9-4-5-12(15)10(6-9)11-7-13-8-14-11/h3-8,15H,1H2,(H,13,14)
InChIKeyQJEABSSOPZJHDF-UHFFFAOYSA-N
XLogP2.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 656975
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CID 21023616
2-(1H-imidazol-5-yl)aniline
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6-(1H-imidazol-5-yl)-1H-indol-2-ol
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5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole
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5-(2,3,4-trichlorophenyl)-1H-imidazole
CID 22367963
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol?
The IUPAC name of 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol (CID 176535228) is 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol?
The canonical SMILES for 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol is C=C=Cc1ccc(O)c(-c2cnc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol?
The InChIKey is QJEABSSOPZJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-3-9-4-5-12(15)10(6-9)11-7-13-8-14-11/h3-8,15H,1H2,(H,13,14).
What are the key properties of 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol?
2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol has a molecular weight of 198.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-4-propa-1,2-dienylphenol is sourced from PubChem (CID 176535228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).