4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol

C20H20N2O2 — CID 166627326

IUPAC4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol
SMILESCC(CCc1cnc[nH]1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H20N2O2/c1-14(2-7-17-12-21-13-22-17)20(15-3-8-18(23)9-4-15)16-5-10-19(24)11-6-16/h3-6,8-13,23-24H,2,7H2,1H3,(H,21,22)
InChIKeyHPZPTRUJGVIMLL-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.28
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol (PubChem CID 166627326) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol
PubChem CID166627326
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol
SMILESCC(CCc1cnc[nH]1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H20N2O2/c1-14(2-7-17-12-21-13-22-17)20(15-3-8-18(23)9-4-15)16-5-10-19(24)11-6-16/h3-6,8-13,23-24H,2,7H2,1H3,(H,21,22)
InChIKeyHPZPTRUJGVIMLL-UHFFFAOYSA-N
XLogP4.28
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Fadolmidine
CID 6433098
2-((N-(1-(1H-Imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol
CID 132222
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
Ledazerol
CID 65932
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-
CID 3074845
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-methyl-
CID 3074846
(+)-2-Hydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzenecarboximidamide hydrate
CID 3074849
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-(1-methylethyl)-, hydrate
CID 3074850
3-(1H-imidazol-4-yl)phenol
CID 24971332
2-(1H-imidazol-4-yl)phenol
CID 10307884

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol (CID 166627326) is 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol is CC(CCc1cnc[nH]1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol?
The InChIKey is HPZPTRUJGVIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(2-7-17-12-21-13-22-17)20(15-3-8-18(23)9-4-15)16-5-10-19(24)11-6-16/h3-6,8-13,23-24H,2,7H2,1H3,(H,21,22).
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-methylbut-1-enyl]phenol is sourced from PubChem (CID 166627326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).