2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

C24H17F3N4OS — CID 71044385

IUPAC2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Nc1ccc3ccsc3c1)n2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H17F3N4OS/c25-24(26,27)18-4-2-1-3-16(18)13-31-20-8-6-15(22(28)32)11-19(20)30-23(31)29-17-7-5-14-9-10-33-21(14)12-17/h1-12H,13H2,(H2,28,32)(H,29,30)
InChIKeyLUEWLGFLLIQEFB-UHFFFAOYSA-N
MW466.49 g/mol
LogP6.16
Rot. Bonds5

About 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 71044385) has the molecular formula C24H17F3N4OS and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID71044385
Molecular FormulaC24H17F3N4OS
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC Name2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(Nc1ccc3ccsc3c1)n2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H17F3N4OS/c25-24(26,27)18-4-2-1-3-16(18)13-31-20-8-6-15(22(28)32)11-19(20)30-23(31)29-17-7-5-14-9-10-33-21(14)12-17/h1-12H,13H2,(H2,28,32)(H,29,30)
InChIKeyLUEWLGFLLIQEFB-UHFFFAOYSA-N
XLogP6.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (CID 71044385) is 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(Nc1ccc3ccsc3c1)n2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is LUEWLGFLLIQEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4OS/c25-24(26,27)18-4-2-1-3-16(18)13-31-20-8-6-15(22(28)32)11-19(20)30-23(31)29-17-7-5-14-9-10-33-21(14)12-17/h1-12H,13H2,(H2,28,32)(H,29,30).
What are the key properties of 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 71044385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).