1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

C19H23F3N4O2S — CID 31436504

IUPAC1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESCCCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H23F3N4O2S/c1-2-7-26-15-10-13(19(20,21)22)3-4-14(15)24-18(26)29-11-16(27)25-8-5-12(6-9-25)17(23)28/h3-4,10,12H,2,5-9,11H2,1H3,(H2,23,28)
InChIKeyIIMZONFFPHOTND-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.28
Rot. Bonds6

About 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 31436504) has the molecular formula C19H23F3N4O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
PubChem CID31436504
Molecular FormulaC19H23F3N4O2S
Molecular Weight428.48 g/mol
Exact Mass428.15
IUPAC Name1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESCCCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H23F3N4O2S/c1-2-7-26-15-10-13(19(20,21)22)3-4-14(15)24-18(26)29-11-16(27)25-8-5-12(6-9-25)17(23)28/h3-4,10,12H,2,5-9,11H2,1H3,(H2,23,28)
InChIKeyIIMZONFFPHOTND-UHFFFAOYSA-N
XLogP3.28
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (CID 31436504) is 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is CCCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is IIMZONFFPHOTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2S/c1-2-7-26-15-10-13(19(20,21)22)3-4-14(15)24-18(26)29-11-16(27)25-8-5-12(6-9-25)17(23)28/h3-4,10,12H,2,5-9,11H2,1H3,(H2,23,28).
What are the key properties of 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 31436504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).