N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide

C26H28N4O2 — CID 46879476

IUPACN-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C26H28N4O2/c1-27-25(31)18-29-23-8-4-5-9-24(23)30(26(29)32)22-12-14-28(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17-18H2,1H3,(H,27,31)
InChIKeyAZOXTSAKHFHPFD-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.54
Rot. Bonds5

About N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide

N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide (PubChem CID 46879476) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
PubChem CID46879476
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C26H28N4O2/c1-27-25(31)18-29-23-8-4-5-9-24(23)30(26(29)32)22-12-14-28(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17-18H2,1H3,(H,27,31)
InChIKeyAZOXTSAKHFHPFD-UHFFFAOYSA-N
XLogP3.54
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide (CID 46879476) is N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide is CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
The InChIKey is AZOXTSAKHFHPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-27-25(31)18-29-23-8-4-5-9-24(23)30(26(29)32)22-12-14-28(15-13-22)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16,22H,12-15,17-18H2,1H3,(H,27,31).
What are the key properties of N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 46879476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).