5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole

C35H31F3N2O — CID 23001215

IUPAC5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)(F)c1ccc(COCC2CCc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C35H31F3N2O/c36-35(37,38)31-19-16-26(17-20-31)23-41-24-27-18-21-33-32(22-27)39-25-40(33)34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-17,19-20,25,27H,18,21-24H2
InChIKeyYGGNUZZMLWPTRS-UHFFFAOYSA-N
MW552.64 g/mol
LogP8.06
Rot. Bonds8

About 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole

5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 23001215) has the molecular formula C35H31F3N2O and a molecular weight of 552.64 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID23001215
Molecular FormulaC35H31F3N2O
Molecular Weight552.64 g/mol
Exact Mass552.24
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)(F)c1ccc(COCC2CCc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C35H31F3N2O/c36-35(37,38)31-19-16-26(17-20-31)23-41-24-27-18-21-33-32(22-27)39-25-40(33)34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-17,19-20,25,27H,18,21-24H2
InChIKeyYGGNUZZMLWPTRS-UHFFFAOYSA-N
XLogP8.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-chloro-3-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
CID 23001243
3-[(1-trityl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methoxymethyl]benzonitrile
CID 23001224
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-[3-(trifluoromethoxy)phenoxy]phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole
CID 23001253
5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-3-trityl-1,2,4,5,6,7-hexahydrobenzimidazole
CID 23001267
methyl 1-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate;methyl 3-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate
CID 161161479
2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950733
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 19960260
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole (CID 23001215) is 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole is FC(F)(F)c1ccc(COCC2CCc3c(ncn3C(c3ccccc3)(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is YGGNUZZMLWPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F3N2O/c36-35(37,38)31-19-16-26(17-20-31)23-41-24-27-18-21-33-32(22-27)39-25-40(33)34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-17,19-20,25,27H,18,21-24H2.
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole?
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 552.64 g/mol, XLogP of 8.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-trityl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 23001215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).