(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol

C35H38N2O2 — CID 70314430

IUPAC(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol
SMILESCCOc1cc(CC)c(C(O)C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=N2)c(CC)c1
InChIInChI=1S/C35H38N2O2/c1-4-26-22-31(39-6-3)23-27(5-2)33(26)34(38)32-24-37(25-36-32)35(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-23,25,32,34,38H,4-6,24H2,1-3H3
InChIKeyUMJIALCEYBKAQS-UHFFFAOYSA-N
MW518.70 g/mol
LogP6.95
Rot. Bonds10

About (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol

(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol (PubChem CID 70314430) has the molecular formula C35H38N2O2 and a molecular weight of 518.70 g/mol. Its IUPAC name is (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol
PubChem CID70314430
Molecular FormulaC35H38N2O2
Molecular Weight518.70 g/mol
Exact Mass518.29
IUPAC Name(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol
SMILESCCOc1cc(CC)c(C(O)C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=N2)c(CC)c1
InChIInChI=1S/C35H38N2O2/c1-4-26-22-31(39-6-3)23-27(5-2)33(26)34(38)32-24-37(25-36-32)35(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-23,25,32,34,38H,4-6,24H2,1-3H3
InChIKeyUMJIALCEYBKAQS-UHFFFAOYSA-N
XLogP6.95
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol?
The IUPAC name of (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol (CID 70314430) is (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol.
What is the SMILES notation for (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol?
The canonical SMILES for (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol is CCOc1cc(CC)c(C(O)C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=N2)c(CC)c1.
What is the InChIKey of (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol?
The InChIKey is UMJIALCEYBKAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O2/c1-4-26-22-31(39-6-3)23-27(5-2)33(26)34(38)32-24-37(25-36-32)35(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-23,25,32,34,38H,4-6,24H2,1-3H3.
What are the key properties of (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol?
(4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol has a molecular weight of 518.70 g/mol, XLogP of 6.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,6-diethylphenyl)-(1-trityl-4,5-dihydroimidazol-4-yl)methanol is sourced from PubChem (CID 70314430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).