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

C18H26N4O — CID 667275

IUPACN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C18H26N4O/c1-3-7-18(23)19-14-8-9-16-15(12-14)20-17(21(16)2)13-22-10-5-4-6-11-22/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,23)
InChIKeyBXBXJIOTUHSIRT-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.30
Rot. Bonds5

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

N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide (PubChem CID 667275) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide
PubChem CID667275
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C18H26N4O/c1-3-7-18(23)19-14-8-9-16-15(12-14)20-17(21(16)2)13-22-10-5-4-6-11-22/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,23)
InChIKeyBXBXJIOTUHSIRT-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.30
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]butanamide?
The IUPAC name of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide (CID 667275) is N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C.
What is the InChIKey of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
The InChIKey is BXBXJIOTUHSIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-7-18(23)19-14-8-9-16-15(12-14)20-17(21(16)2)13-22-10-5-4-6-11-22/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,23).
What are the key properties of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide?
N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]butanamide has a molecular weight of 314.43 g/mol, XLogP of 3.30, 5 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]butanamide is sourced from PubChem (CID 667275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).