N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide

C28H27F3N4O — CID 44534318

IUPACN-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C28H27F3N4O/c1-18-15-20(27(36)32-22-11-13-35(14-12-22)17-19-5-3-2-4-6-19)7-9-23(18)26-33-24-10-8-21(28(29,30)31)16-25(24)34-26/h2-10,15-16,22H,11-14,17H2,1H3,(H,32,36)(H,33,34)
InChIKeyVSYHJVFIYYRKRA-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.95
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide

N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (PubChem CID 44534318) has the molecular formula C28H27F3N4O and a molecular weight of 492.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
PubChem CID44534318
Molecular FormulaC28H27F3N4O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C28H27F3N4O/c1-18-15-20(27(36)32-22-11-13-35(14-12-22)17-19-5-3-2-4-6-19)7-9-23(18)26-33-24-10-8-21(28(29,30)31)16-25(24)34-26/h2-10,15-16,22H,11-14,17H2,1H3,(H,32,36)(H,33,34)
InChIKeyVSYHJVFIYYRKRA-UHFFFAOYSA-N
XLogP5.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (CID 44534318) is N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The InChIKey is VSYHJVFIYYRKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O/c1-18-15-20(27(36)32-22-11-13-35(14-12-22)17-19-5-3-2-4-6-19)7-9-23(18)26-33-24-10-8-21(28(29,30)31)16-25(24)34-26/h2-10,15-16,22H,11-14,17H2,1H3,(H,32,36)(H,33,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide has a molecular weight of 492.55 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 44534318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).