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

C27H34N4O2 — CID 46880115

IUPACN-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H34N4O2/c1-28-26(32)19-30-24-9-5-6-10-25(24)31(27(30)33)23-15-17-29(18-16-23)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-10,21-23H,11-19H2,1H3,(H,28,32)
InChIKeyRGMDBHIVIDBPLQ-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.91
Rot. Bonds5

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

N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide (PubChem CID 46880115) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
PubChem CID46880115
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H34N4O2/c1-28-26(32)19-30-24-9-5-6-10-25(24)31(27(30)33)23-15-17-29(18-16-23)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-10,21-23H,11-19H2,1H3,(H,28,32)
InChIKeyRGMDBHIVIDBPLQ-UHFFFAOYSA-N
XLogP3.91
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide (CID 46880115) is N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
The InChIKey is RGMDBHIVIDBPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-28-26(32)19-30-24-9-5-6-10-25(24)31(27(30)33)23-15-17-29(18-16-23)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-10,21-23H,11-19H2,1H3,(H,28,32).
What are the key properties of N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 3.91, 5 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-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46880115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).