1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

C23H24F3N3O2 — CID 166630330

IUPAC1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)18-9-5-4-8-17(18)13-27-21(30)16-10-11-20-19(12-16)28-22(31)29(20)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H,27,30)(H,28,31)
InChIKeyPCANUEBDFNBUDW-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.86
Rot. Bonds5

About 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 166630330) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID166630330
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)18-9-5-4-8-17(18)13-27-21(30)16-10-11-20-19(12-16)28-22(31)29(20)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H,27,30)(H,28,31)
InChIKeyPCANUEBDFNBUDW-UHFFFAOYSA-N
XLogP4.86
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (CID 166630330) is 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PCANUEBDFNBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)18-9-5-4-8-17(18)13-27-21(30)16-10-11-20-19(12-16)28-22(31)29(20)14-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13-14H2,(H,27,30)(H,28,31).
What are the key properties of 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166630330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).