1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide

C25H23F3N4OS — CID 44523631

IUPAC1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)CC1
InChIInChI=1S/C25H23F3N4OS/c1-32-12-10-16(11-13-32)24(33)29-18-5-2-15(3-6-18)21-8-9-22(34-21)23-30-19-7-4-17(25(26,27)28)14-20(19)31-23/h2-9,14,16H,10-13H2,1H3,(H,29,33)(H,30,31)
InChIKeyGTBSFDXOUJNQNJ-UHFFFAOYSA-N
MW484.55 g/mol
LogP6.26
Rot. Bonds4

About 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide

1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide (PubChem CID 44523631) has the molecular formula C25H23F3N4OS and a molecular weight of 484.55 g/mol. Its IUPAC name is 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide
PubChem CID44523631
Molecular FormulaC25H23F3N4OS
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC Name1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)CC1
InChIInChI=1S/C25H23F3N4OS/c1-32-12-10-16(11-13-32)24(33)29-18-5-2-15(3-6-18)21-8-9-22(34-21)23-30-19-7-4-17(25(26,27)28)14-20(19)31-23/h2-9,14,16H,10-13H2,1H3,(H,29,33)(H,30,31)
InChIKeyGTBSFDXOUJNQNJ-UHFFFAOYSA-N
XLogP6.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide (CID 44523631) is 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is GTBSFDXOUJNQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4OS/c1-32-12-10-16(11-13-32)24(33)29-18-5-2-15(3-6-18)21-8-9-22(34-21)23-30-19-7-4-17(25(26,27)28)14-20(19)31-23/h2-9,14,16H,10-13H2,1H3,(H,29,33)(H,30,31).
What are the key properties of 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide?
1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 44523631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).