N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide

C24H20F3N3O — CID 46328944

IUPACN-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C24H20F3N3O/c1-30-21-13-12-17(28-23(31)18-9-5-6-10-19(18)24(25,26)27)15-20(21)29-22(30)14-11-16-7-3-2-4-8-16/h2-10,12-13,15H,11,14H2,1H3,(H,28,31)
InChIKeyZHQKKTLLAGJIMA-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.63
Rot. Bonds5

About N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 46328944) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID46328944
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C24H20F3N3O/c1-30-21-13-12-17(28-23(31)18-9-5-6-10-19(18)24(25,26)27)15-20(21)29-22(30)14-11-16-7-3-2-4-8-16/h2-10,12-13,15H,11,14H2,1H3,(H,28,31)
InChIKeyZHQKKTLLAGJIMA-UHFFFAOYSA-N
XLogP5.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide (CID 46328944) is N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide is Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZHQKKTLLAGJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-30-21-13-12-17(28-23(31)18-9-5-6-10-19(18)24(25,26)27)15-20(21)29-22(30)14-11-16-7-3-2-4-8-16/h2-10,12-13,15H,11,14H2,1H3,(H,28,31).
What are the key properties of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 423.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46328944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).