2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

C22H32N4O2 — CID 46880152

IUPAC2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N4O2/c1-23-21(27)16-25-19-9-5-6-10-20(19)26(22(25)28)18-11-13-24(14-12-18)15-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,23,27)
InChIKeyQVMAZSAMKIHHHL-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.77
Rot. Bonds5

About 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 46880152) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID46880152
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N4O2/c1-23-21(27)16-25-19-9-5-6-10-20(19)26(22(25)28)18-11-13-24(14-12-18)15-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,23,27)
InChIKeyQVMAZSAMKIHHHL-UHFFFAOYSA-N
XLogP2.77
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 46880152) is 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is QVMAZSAMKIHHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-23-21(27)16-25-19-9-5-6-10-20(19)26(22(25)28)18-11-13-24(14-12-18)15-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,23,27).
What are the key properties of 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 384.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46880152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).