2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

C25H30N4O2 — CID 68703904

IUPAC2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2(C)CCN(C3CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-25(13-15-27(16-14-25)20-12-11-18-7-3-4-8-19(18)20)29-22-10-6-5-9-21(22)28(24(29)31)17-23(30)26-2/h3-10,20H,11-17H2,1-2H3,(H,26,30)
InChIKeyBYVCZEBAEOAZEO-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.05
Rot. Bonds4

About 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 68703904) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID68703904
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2(C)CCN(C3CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-25(13-15-27(16-14-25)20-12-11-18-7-3-4-8-19(18)20)29-22-10-6-5-9-21(22)28(24(29)31)17-23(30)26-2/h3-10,20H,11-17H2,1-2H3,(H,26,30)
InChIKeyBYVCZEBAEOAZEO-UHFFFAOYSA-N
XLogP3.05
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 68703904) is 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2(C)CCN(C3CCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is BYVCZEBAEOAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-25(13-15-27(16-14-25)20-12-11-18-7-3-4-8-19(18)20)29-22-10-6-5-9-21(22)28(24(29)31)17-23(30)26-2/h3-10,20H,11-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 418.54 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 68703904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).