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

C17H25N5O — CID 666864

IUPACN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C
InChIInChI=1S/C17H25N5O/c1-13(23)18-14-4-5-16-15(12-14)19-17(21(16)3)6-7-22-10-8-20(2)9-11-22/h4-5,12H,6-11H2,1-3H3,(H,18,23)
InChIKeyOQTKAMAJCLTECL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.32
Rot. Bonds4

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

N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide (PubChem CID 666864) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide
PubChem CID666864
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C
InChIInChI=1S/C17H25N5O/c1-13(23)18-14-4-5-16-15(12-14)19-17(21(16)3)6-7-22-10-8-20(2)9-11-22/h4-5,12H,6-11H2,1-3H3,(H,18,23)
InChIKeyOQTKAMAJCLTECL-UHFFFAOYSA-N
XLogP1.32
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide (CID 666864) is N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The InChIKey is OQTKAMAJCLTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(23)18-14-4-5-16-15(12-14)19-17(21(16)3)6-7-22-10-8-20(2)9-11-22/h4-5,12H,6-11H2,1-3H3,(H,18,23).
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 666864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).