2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol

C24H26N2O3 — CID 3752703

IUPAC2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol
SMILESCOc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1
InChIInChI=1S/C24H26N2O3/c1-29-21-12-10-18(11-13-21)24-25(16-19-6-2-4-8-22(19)27)14-15-26(24)17-20-7-3-5-9-23(20)28/h2-13,24,27-28H,14-17H2,1H3
InChIKeyHFUITGMKDNOAHP-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.12
Rot. Bonds6

About 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol

2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol (PubChem CID 3752703) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol
PubChem CID3752703
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol
SMILESCOc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1
InChIInChI=1S/C24H26N2O3/c1-29-21-12-10-18(11-13-21)24-25(16-19-6-2-4-8-22(19)27)14-15-26(24)17-20-7-3-5-9-23(20)28/h2-13,24,27-28H,14-17H2,1H3
InChIKeyHFUITGMKDNOAHP-UHFFFAOYSA-N
XLogP4.12
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol (CID 3752703) is 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol is COc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1.
What is the InChIKey of 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol?
The InChIKey is HFUITGMKDNOAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-29-21-12-10-18(11-13-21)24-25(16-19-6-2-4-8-22(19)27)14-15-26(24)17-20-7-3-5-9-23(20)28/h2-13,24,27-28H,14-17H2,1H3.
What are the key properties of 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol?
2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol has a molecular weight of 390.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)imidazolidin-1-yl]methyl]phenol is sourced from PubChem (CID 3752703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).