N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide

C19H28N4O2 — CID 22432992

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C19H28N4O2/c1-19(2,3)17(24)20-13-11-15-16(22(5)18(25)21(15)4)12-14(13)23-9-7-6-8-10-23/h11-12H,6-10H2,1-5H3,(H,20,24)
InChIKeyOTWGLZUXLVOJPV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.85
Rot. Bonds2

About N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 22432992) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
PubChem CID22432992
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C19H28N4O2/c1-19(2,3)17(24)20-13-11-15-16(22(5)18(25)21(15)4)12-14(13)23-9-7-6-8-10-23/h11-12H,6-10H2,1-5H3,(H,20,24)
InChIKeyOTWGLZUXLVOJPV-UHFFFAOYSA-N
XLogP2.85
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide (CID 22432992) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(C)(C)C)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is OTWGLZUXLVOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)17(24)20-13-11-15-16(22(5)18(25)21(15)4)12-14(13)23-9-7-6-8-10-23/h11-12H,6-10H2,1-5H3,(H,20,24).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 344.46 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 22432992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).