N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide

C23H28N6O — CID 24632807

IUPACN-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)NC(C)(C)C)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H28N6O/c1-16-13-21(28-11-9-27(10-12-28)15-20(30)26-23(2,3)4)29-19-8-6-5-7-18(19)25-22(29)17(16)14-24/h5-8,13H,9-12,15H2,1-4H3,(H,26,30)
InChIKeyRWWRYEHJEICFNP-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.70
Rot. Bonds3

About N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide (PubChem CID 24632807) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
PubChem CID24632807
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)NC(C)(C)C)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H28N6O/c1-16-13-21(28-11-9-27(10-12-28)15-20(30)26-23(2,3)4)29-19-8-6-5-7-18(19)25-22(29)17(16)14-24/h5-8,13H,9-12,15H2,1-4H3,(H,26,30)
InChIKeyRWWRYEHJEICFNP-UHFFFAOYSA-N
XLogP2.70
TPSA76.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide (CID 24632807) is N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)NC(C)(C)C)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide?
The InChIKey is RWWRYEHJEICFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-13-21(28-11-9-27(10-12-28)15-20(30)26-23(2,3)4)29-19-8-6-5-7-18(19)25-22(29)17(16)14-24/h5-8,13H,9-12,15H2,1-4H3,(H,26,30).
What are the key properties of N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24632807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).