N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide

C16H22N4O — CID 1252244

IUPACN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C16H22N4O/c1-12(21)17-13-6-7-15-14(10-13)18-16(19(15)2)11-20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,21)
InChIKeyALOKFFPSHUUZOQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.52
Rot. Bonds3

About N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide

N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide (PubChem CID 1252244) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide
PubChem CID1252244
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C16H22N4O/c1-12(21)17-13-6-7-15-14(10-13)18-16(19(15)2)11-20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,21)
InChIKeyALOKFFPSHUUZOQ-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide (CID 1252244) is N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C.
What is the InChIKey of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
The InChIKey is ALOKFFPSHUUZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(21)17-13-6-7-15-14(10-13)18-16(19(15)2)11-20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,21).
What are the key properties of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide?
N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 1252244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).