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

C25H38N4O2 — CID 46880090

IUPAC2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C25H38N4O2/c1-25(2,3)18-9-11-19(12-10-18)27-15-13-20(14-16-27)29-22-8-6-5-7-21(22)28(24(29)31)17-23(30)26-4/h5-8,18-20H,9-17H2,1-4H3,(H,26,30)
InChIKeyBSJAIRJURHYEBB-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.79
Rot. Bonds4

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

2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 46880090) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID46880090
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C25H38N4O2/c1-25(2,3)18-9-11-19(12-10-18)27-15-13-20(14-16-27)29-22-8-6-5-7-21(22)28(24(29)31)17-23(30)26-4/h5-8,18-20H,9-17H2,1-4H3,(H,26,30)
InChIKeyBSJAIRJURHYEBB-UHFFFAOYSA-N
XLogP3.79
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 46880090) is 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is BSJAIRJURHYEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-25(2,3)18-9-11-19(12-10-18)27-15-13-20(14-16-27)29-22-8-6-5-7-21(22)28(24(29)31)17-23(30)26-4/h5-8,18-20H,9-17H2,1-4H3,(H,26,30).
What are the key properties of 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 426.61 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-tert-butylcyclohexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46880090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).