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

C22H26N4O2 — CID 22433053

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Cc3ccccc3)cc21
InChIInChI=1S/C22H26N4O2/c1-24-19-14-17(23-21(27)13-16-9-5-3-6-10-16)18(26-11-7-4-8-12-26)15-20(19)25(2)22(24)28/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,23,27)
InChIKeyMNWXNRZNVGDBAO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds4

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

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide (PubChem CID 22433053) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
PubChem CID22433053
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Cc3ccccc3)cc21
InChIInChI=1S/C22H26N4O2/c1-24-19-14-17(23-21(27)13-16-9-5-3-6-10-16)18(26-11-7-4-8-12-26)15-20(19)25(2)22(24)28/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,23,27)
InChIKeyMNWXNRZNVGDBAO-UHFFFAOYSA-N
XLogP3.05
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
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-phenylacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide (CID 22433053) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Cc3ccccc3)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
The InChIKey is MNWXNRZNVGDBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-19-14-17(23-21(27)13-16-9-5-3-6-10-16)18(26-11-7-4-8-12-26)15-20(19)25(2)22(24)28/h3,5-6,9-10,14-15H,4,7-8,11-13H2,1-2H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide has a molecular weight of 378.48 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 N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 22433053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).