N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide

C22H23F3N4O — CID 46886207

IUPACN-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide
SMILESCn1c(-c2ccc(NC(=O)CN3CCCCC3)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H23F3N4O/c1-28-19-10-7-16(22(23,24)25)13-18(19)27-21(28)15-5-8-17(9-6-15)26-20(30)14-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,30)
InChIKeyGACIXDWECKYUFW-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.68
Rot. Bonds4

About N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide

N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 46886207) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide
PubChem CID46886207
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide
SMILESCn1c(-c2ccc(NC(=O)CN3CCCCC3)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H23F3N4O/c1-28-19-10-7-16(22(23,24)25)13-18(19)27-21(28)15-5-8-17(9-6-15)26-20(30)14-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,30)
InChIKeyGACIXDWECKYUFW-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide (CID 46886207) is N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide is Cn1c(-c2ccc(NC(=O)CN3CCCCC3)cc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is GACIXDWECKYUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-28-19-10-7-16(22(23,24)25)13-18(19)27-21(28)15-5-8-17(9-6-15)26-20(30)14-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,30).
What are the key properties of N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide?
N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 416.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 46886207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).