5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one

C14H20N4O — CID 5303272

IUPAC5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(N)cc21
InChIInChI=1S/C14H20N4O/c1-16-12-8-10(15)11(18-6-4-3-5-7-18)9-13(12)17(2)14(16)19/h8-9H,3-7,15H2,1-2H3
InChIKeyZOMSUTGXSSYGLG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.45
Rot. Bonds1

About 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one

5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one (PubChem CID 5303272) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one
PubChem CID5303272
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(N)cc21
InChIInChI=1S/C14H20N4O/c1-16-12-8-10(15)11(18-6-4-3-5-7-18)9-13(12)17(2)14(16)19/h8-9H,3-7,15H2,1-2H3
InChIKeyZOMSUTGXSSYGLG-UHFFFAOYSA-N
XLogP1.45
TPSA56.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one?
The IUPAC name of 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one (CID 5303272) is 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one?
The canonical SMILES for 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(N)cc21.
What is the InChIKey of 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one?
The InChIKey is ZOMSUTGXSSYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16-12-8-10(15)11(18-6-4-3-5-7-18)9-13(12)17(2)14(16)19/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one?
5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one is sourced from PubChem (CID 5303272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).