5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one

C17H26N4O — CID 123918525

IUPAC5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
SMILESCN(C)N=CCc1ccc2c(c1)n(C)c(=O)n2CC(C)(C)C
InChIInChI=1S/C17H26N4O/c1-17(2,3)12-21-14-8-7-13(9-10-18-19(4)5)11-15(14)20(6)16(21)22/h7-8,10-11H,9,12H2,1-6H3
InChIKeyMXWCYKJMORGWNY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds4

About 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one

5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one (PubChem CID 123918525) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
PubChem CID123918525
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
SMILESCN(C)N=CCc1ccc2c(c1)n(C)c(=O)n2CC(C)(C)C
InChIInChI=1S/C17H26N4O/c1-17(2,3)12-21-14-8-7-13(9-10-18-19(4)5)11-15(14)20(6)16(21)22/h7-8,10-11H,9,12H2,1-6H3
InChIKeyMXWCYKJMORGWNY-UHFFFAOYSA-N
XLogP2.48
TPSA42.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one (CID 123918525) is 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one is CN(C)N=CCc1ccc2c(c1)n(C)c(=O)n2CC(C)(C)C.
What is the InChIKey of 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The InChIKey is MXWCYKJMORGWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)12-21-14-8-7-13(9-10-18-19(4)5)11-15(14)20(6)16(21)22/h7-8,10-11H,9,12H2,1-6H3.
What are the key properties of 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylhydrazinylidene)ethyl]-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 123918525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).