4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H19F3N4O2 — CID 155248619

IUPAC4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)13-5-7-14(8-6-13)24-18(28)26-11-9-15(10-12-26)27-17-4-2-1-3-16(17)25-19(27)29/h1-8,15H,9-12H2,(H,24,28)(H,25,29)
InChIKeyYNKZOSPGTRIDFS-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.22
Rot. Bonds2

About 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 155248619) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID155248619
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)13-5-7-14(8-6-13)24-18(28)26-11-9-15(10-12-26)27-17-4-2-1-3-16(17)25-19(27)29/h1-8,15H,9-12H2,(H,24,28)(H,25,29)
InChIKeyYNKZOSPGTRIDFS-UHFFFAOYSA-N
XLogP4.22
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 155248619) is 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is YNKZOSPGTRIDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)13-5-7-14(8-6-13)24-18(28)26-11-9-15(10-12-26)27-17-4-2-1-3-16(17)25-19(27)29/h1-8,15H,9-12H2,(H,24,28)(H,25,29).
What are the key properties of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 155248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).