2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide

C22H24F3N5O — CID 46886230

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(C(F)(F)F)ccc4n3C)cc2)CC1
InChIInChI=1S/C22H24F3N5O/c1-28-9-11-30(12-10-28)14-20(31)26-17-6-3-15(4-7-17)21-27-18-13-16(22(23,24)25)5-8-19(18)29(21)2/h3-8,13H,9-12,14H2,1-2H3,(H,26,31)
InChIKeyCIVZFJQGEPBXRU-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.44
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide (PubChem CID 46886230) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
PubChem CID46886230
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(C(F)(F)F)ccc4n3C)cc2)CC1
InChIInChI=1S/C22H24F3N5O/c1-28-9-11-30(12-10-28)14-20(31)26-17-6-3-15(4-7-17)21-27-18-13-16(22(23,24)25)5-8-19(18)29(21)2/h3-8,13H,9-12,14H2,1-2H3,(H,26,31)
InChIKeyCIVZFJQGEPBXRU-UHFFFAOYSA-N
XLogP3.44
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide (CID 46886230) is 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide is CN1CCN(CC(=O)Nc2ccc(-c3nc4cc(C(F)(F)F)ccc4n3C)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is CIVZFJQGEPBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-28-9-11-30(12-10-28)14-20(31)26-17-6-3-15(4-7-17)21-27-18-13-16(22(23,24)25)5-8-19(18)29(21)2/h3-8,13H,9-12,14H2,1-2H3,(H,26,31).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 431.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 46886230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).