2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol

C32H32N2O4 — CID 160616138

IUPAC2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
SMILESCCc1ncc(C)[nH]1.Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H22O4.C6H10N2/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20;1-3-6-7-4-5(2)8-6/h1-16,25-30H;4H,3H2,1-2H3,(H,7,8)
InChIKeyRGCRIMAIDHCPJP-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.75
Rot. Bonds6

About 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol

2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol (PubChem CID 160616138) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
PubChem CID160616138
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
SMILESCCc1ncc(C)[nH]1.Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H22O4.C6H10N2/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20;1-3-6-7-4-5(2)8-6/h1-16,25-30H;4H,3H2,1-2H3,(H,7,8)
InChIKeyRGCRIMAIDHCPJP-UHFFFAOYSA-N
XLogP6.75
TPSA109.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol (CID 160616138) is 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol is CCc1ncc(C)[nH]1.Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is RGCRIMAIDHCPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4.C6H10N2/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20;1-3-6-7-4-5(2)8-6/h1-16,25-30H;4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol?
2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 508.62 g/mol, XLogP of 6.75, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 160616138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).