1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole

C22H17F3N2 — CID 46310977

IUPAC1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H17F3N2/c1-15-7-9-17(10-8-15)21-26-19-13-18(22(23,24)25)11-12-20(19)27(21)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyJAKMBRVIEWITMI-UHFFFAOYSA-N
MW366.39 g/mol
LogP6.08
Rot. Bonds3

About 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole

1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46310977) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46310977
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H17F3N2/c1-15-7-9-17(10-8-15)21-26-19-13-18(22(23,24)25)11-12-20(19)27(21)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyJAKMBRVIEWITMI-UHFFFAOYSA-N
XLogP6.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole (CID 46310977) is 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole is Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is JAKMBRVIEWITMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c1-15-7-9-17(10-8-15)21-26-19-13-18(22(23,24)25)11-12-20(19)27(21)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole?
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 366.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).