4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol

C19H20N2O3 — CID 10592065

IUPAC4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
SMILESCOc1ccc(-c2ncn(CCCO)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-5-14(6-10-17)18-19(15-3-7-16(23)8-4-15)21(13-20-18)11-2-12-22/h3-10,13,22-23H,2,11-12H2,1H3
InChIKeyJYWQGOZFONDKDG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.31
Rot. Bonds6

About 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol

4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol (PubChem CID 10592065) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
PubChem CID10592065
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
SMILESCOc1ccc(-c2ncn(CCCO)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-5-14(6-10-17)18-19(15-3-7-16(23)8-4-15)21(13-20-18)11-2-12-22/h3-10,13,22-23H,2,11-12H2,1H3
InChIKeyJYWQGOZFONDKDG-UHFFFAOYSA-N
XLogP3.31
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol?
The IUPAC name of 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol (CID 10592065) is 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol.
What is the SMILES notation for 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol?
The canonical SMILES for 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol is COc1ccc(-c2ncn(CCCO)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol?
The InChIKey is JYWQGOZFONDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-5-14(6-10-17)18-19(15-3-7-16(23)8-4-15)21(13-20-18)11-2-12-22/h3-10,13,22-23H,2,11-12H2,1H3.
What are the key properties of 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol?
4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol is sourced from PubChem (CID 10592065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).