2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide

C31H33F3N4O — CID 67315553

IUPAC2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(c1ccc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C31H33F3N4O/c1-20(2)30(22-13-15-35-16-14-22)25-12-9-23(18-26(25)31(32,33)34)37-29(39)17-21-7-10-24(11-8-21)38-19-36-27-5-3-4-6-28(27)38/h3-12,18-20,22,30,35H,13-17H2,1-2H3,(H,37,39)
InChIKeyFLXACOFJNKZSEP-UHFFFAOYSA-N
MW534.63 g/mol
LogP6.96
Rot. Bonds7

About 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide

2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 67315553) has the molecular formula C31H33F3N4O and a molecular weight of 534.63 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID67315553
Molecular FormulaC31H33F3N4O
Molecular Weight534.63 g/mol
Exact Mass534.26
IUPAC Name2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(c1ccc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C31H33F3N4O/c1-20(2)30(22-13-15-35-16-14-22)25-12-9-23(18-26(25)31(32,33)34)37-29(39)17-21-7-10-24(11-8-21)38-19-36-27-5-3-4-6-28(27)38/h3-12,18-20,22,30,35H,13-17H2,1-2H3,(H,37,39)
InChIKeyFLXACOFJNKZSEP-UHFFFAOYSA-N
XLogP6.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.63
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide (CID 67315553) is 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide is CC(C)C(c1ccc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FLXACOFJNKZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O/c1-20(2)30(22-13-15-35-16-14-22)25-12-9-23(18-26(25)31(32,33)34)37-29(39)17-21-7-10-24(11-8-21)38-19-36-27-5-3-4-6-28(27)38/h3-12,18-20,22,30,35H,13-17H2,1-2H3,(H,37,39).
What are the key properties of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 534.63 g/mol, XLogP of 6.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67315553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).