N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C23H25F3N4O — CID 41282930

IUPACN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)22-28-19-10-4-5-11-20(19)30(22)16-21(31)27-14-17-8-2-3-9-18(17)15-29-12-6-1-7-13-29/h2-5,8-11H,1,6-7,12-16H2,(H,27,31)
InChIKeyLMSZJZSONMWSHR-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.36
Rot. Bonds6

About N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 41282930) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID41282930
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)22-28-19-10-4-5-11-20(19)30(22)16-21(31)27-14-17-8-2-3-9-18(17)15-29-12-6-1-7-13-29/h2-5,8-11H,1,6-7,12-16H2,(H,27,31)
InChIKeyLMSZJZSONMWSHR-UHFFFAOYSA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 41282930) is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is LMSZJZSONMWSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c24-23(25,26)22-28-19-10-4-5-11-20(19)30(22)16-21(31)27-14-17-8-2-3-9-18(17)15-29-12-6-1-7-13-29/h2-5,8-11H,1,6-7,12-16H2,(H,27,31).
What are the key properties of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 430.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 41282930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).