1,2-dibenzyl-5-(trifluoromethyl)benzimidazole

C22H17F3N2 — CID 46310965

IUPAC1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C22H17F3N2/c23-22(24,25)18-11-12-20-19(14-18)26-21(13-16-7-3-1-4-8-16)27(20)15-17-9-5-2-6-10-17/h1-12,14H,13,15H2
InChIKeyAUNXBVVRAQUOHQ-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.69
Rot. Bonds4

About 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole

1,2-dibenzyl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310965) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
PubChem CID46310965
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C22H17F3N2/c23-22(24,25)18-11-12-20-19(14-18)26-21(13-16-7-3-1-4-8-16)27(20)15-17-9-5-2-6-10-17/h1-12,14H,13,15H2
InChIKeyAUNXBVVRAQUOHQ-UHFFFAOYSA-N
XLogP5.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole (CID 46310965) is 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is AUNXBVVRAQUOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c23-22(24,25)18-11-12-20-19(14-18)26-21(13-16-7-3-1-4-8-16)27(20)15-17-9-5-2-6-10-17/h1-12,14H,13,15H2.
What are the key properties of 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole?
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 366.39 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).