N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide

C18H23F3N4O2 — CID 142966374

IUPACN-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2nc3ccccc3n2OCC(F)(F)F)CC1
InChIInChI=1S/C18H23F3N4O2/c1-12(2)24-9-7-13(8-10-24)22-17(26)16-23-14-5-3-4-6-15(14)25(16)27-11-18(19,20)21/h3-6,12-13H,7-11H2,1-2H3,(H,22,26)
InChIKeyBIONUSCSFDARTO-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.63
Rot. Bonds5

About N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide (PubChem CID 142966374) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide
PubChem CID142966374
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2nc3ccccc3n2OCC(F)(F)F)CC1
InChIInChI=1S/C18H23F3N4O2/c1-12(2)24-9-7-13(8-10-24)22-17(26)16-23-14-5-3-4-6-15(14)25(16)27-11-18(19,20)21/h3-6,12-13H,7-11H2,1-2H3,(H,22,26)
InChIKeyBIONUSCSFDARTO-UHFFFAOYSA-N
XLogP2.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide (CID 142966374) is N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide is CC(C)N1CCC(NC(=O)c2nc3ccccc3n2OCC(F)(F)F)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide?
The InChIKey is BIONUSCSFDARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-12(2)24-9-7-13(8-10-24)22-17(26)16-23-14-5-3-4-6-15(14)25(16)27-11-18(19,20)21/h3-6,12-13H,7-11H2,1-2H3,(H,22,26).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide is sourced from PubChem (CID 142966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).