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

C27H30N4O2 — CID 46880238

IUPACN-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C27H30N4O2/c1-19-11-12-20(23-8-4-3-7-22(19)23)17-29-15-13-21(14-16-29)31-25-10-6-5-9-24(25)30(27(31)33)18-26(32)28-2/h3-12,21H,13-18H2,1-2H3,(H,28,32)
InChIKeyKYKJGXCNYAPKHK-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.85
Rot. Bonds5

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

N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide (PubChem CID 46880238) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
PubChem CID46880238
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C27H30N4O2/c1-19-11-12-20(23-8-4-3-7-22(19)23)17-29-15-13-21(14-16-29)31-25-10-6-5-9-24(25)30(27(31)33)18-26(32)28-2/h3-12,21H,13-18H2,1-2H3,(H,28,32)
InChIKeyKYKJGXCNYAPKHK-UHFFFAOYSA-N
XLogP3.85
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.85
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-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide (CID 46880238) is N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide is CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
The InChIKey is KYKJGXCNYAPKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19-11-12-20(23-8-4-3-7-22(19)23)17-29-15-13-21(14-16-29)31-25-10-6-5-9-24(25)30(27(31)33)18-26(32)28-2/h3-12,21H,13-18H2,1-2H3,(H,28,32).
What are the key properties of N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide?
N-methyl-2-[3-[1-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.85, 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-[(4-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 46880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).