N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide

C28H30N4O2 — CID 46879477

IUPACN-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C28H30N4O2/c1-29-27(33)20-31-25-13-7-8-14-26(25)32(28(31)34)23-15-17-30(18-16-23)19-22-11-5-6-12-24(22)21-9-3-2-4-10-21/h2-14,23H,15-20H2,1H3,(H,29,33)
InChIKeyNLYVZLTWGVINDD-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.05
Rot. Bonds6

About N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide

N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide (PubChem CID 46879477) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide
PubChem CID46879477
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C28H30N4O2/c1-29-27(33)20-31-25-13-7-8-14-26(25)32(28(31)34)23-15-17-30(18-16-23)19-22-11-5-6-12-24(22)21-9-3-2-4-10-21/h2-14,23H,15-20H2,1H3,(H,29,33)
InChIKeyNLYVZLTWGVINDD-UHFFFAOYSA-N
XLogP4.05
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10066285
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CID 10092649
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CID 53481919
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CID 25190615
CID 25190615
CID 25190616
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CID 25190622
CID 25190622
CID 15541261
CID 15541261

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide (CID 46879477) is N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide is CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide?
The InChIKey is NLYVZLTWGVINDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-29-27(33)20-31-25-13-7-8-14-26(25)32(28(31)34)23-15-17-30(18-16-23)19-22-11-5-6-12-24(22)21-9-3-2-4-10-21/h2-14,23H,15-20H2,1H3,(H,29,33).
What are the key properties of N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide?
N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-3-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46879477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).