5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole

C41H35F3N2O3 — CID 23001253

IUPAC5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)(F)Oc1cccc(Oc2ccccc2COCC2CCc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C41H35F3N2O3/c42-41(43,44)49-36-21-12-20-35(26-36)48-39-22-11-10-13-31(39)28-47-27-30-23-24-38-37(25-30)45-29-46(38)40(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-22,26,29-30H,23-25,27-28H2
InChIKeyRHZNFYADJDCIRW-UHFFFAOYSA-N
MW660.74 g/mol
LogP9.74
Rot. Bonds11

About 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole

5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 23001253) has the molecular formula C41H35F3N2O3 and a molecular weight of 660.74 g/mol. Its IUPAC name is 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID23001253
Molecular FormulaC41H35F3N2O3
Molecular Weight660.74 g/mol
Exact Mass660.26
IUPAC Name5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)(F)Oc1cccc(Oc2ccccc2COCC2CCc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C41H35F3N2O3/c42-41(43,44)49-36-21-12-20-35(26-36)48-39-22-11-10-13-31(39)28-47-27-30-23-24-38-37(25-30)45-29-46(38)40(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-22,26,29-30H,23-25,27-28H2
InChIKeyRHZNFYADJDCIRW-UHFFFAOYSA-N
XLogP9.74
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.74
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-phenoxyphenyl)methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
CID 23001249
5-[(2-phenoxyphenyl)methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole;6-[(2-phenoxyphenyl)methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
CID 159305452
5-[[2-chloro-3-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
CID 23001243
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
CID 23001215
methyl 1-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate;methyl 3-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate
CID 161161479
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
CID 166609590

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole (CID 23001253) is 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole is FC(F)(F)Oc1cccc(Oc2ccccc2COCC2CCc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is RHZNFYADJDCIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35F3N2O3/c42-41(43,44)49-36-21-12-20-35(26-36)48-39-22-11-10-13-31(39)28-47-27-30-23-24-38-37(25-30)45-29-46(38)40(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-22,26,29-30H,23-25,27-28H2.
What are the key properties of 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 660.74 g/mol, XLogP of 9.74, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 23001253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).