4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane

C27H32N2O3 — CID 142013542

IUPAC4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
SMILESCC.CC.COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O3.2C2H6/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;2*1-2/h3-14,26H,1-2H3,(H,24,25);2*1-2H3
InChIKeyVQUZYDBNEIPXDQ-UHFFFAOYSA-N
MW432.56 g/mol
LogP7.19
Rot. Bonds5

About 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane

4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane (PubChem CID 142013542) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane.

Molecular Properties

Compound Name4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
PubChem CID142013542
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
SMILESCC.CC.COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O3.2C2H6/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;2*1-2/h3-14,26H,1-2H3,(H,24,25);2*1-2H3
InChIKeyVQUZYDBNEIPXDQ-UHFFFAOYSA-N
XLogP7.19
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
CID 135968526
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
CID 40532851
5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde
CID 136706376
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
CID 57341687

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane?
The IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane (CID 142013542) is 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane.
What is the SMILES notation for 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane?
The canonical SMILES for 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane is CC.CC.COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane?
The InChIKey is VQUZYDBNEIPXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3.2C2H6/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;2*1-2/h3-14,26H,1-2H3,(H,24,25);2*1-2H3.
What are the key properties of 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane?
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane has a molecular weight of 432.56 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane is sourced from PubChem (CID 142013542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).