5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one

C11H16N4O — CID 6500465

IUPAC5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one
SMILESCN(C)c1cc2c(cc1N)n(C)c(=O)n2C
InChIInChI=1S/C11H16N4O/c1-13(2)8-6-10-9(5-7(8)12)14(3)11(16)15(10)4/h5-6H,12H2,1-4H3
InChIKeyOUKLITHWMNPWMM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.53
Rot. Bonds1

About 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one

5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one (PubChem CID 6500465) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one
PubChem CID6500465
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one
SMILESCN(C)c1cc2c(cc1N)n(C)c(=O)n2C
InChIInChI=1S/C11H16N4O/c1-13(2)8-6-10-9(5-7(8)12)14(3)11(16)15(10)4/h5-6H,12H2,1-4H3
InChIKeyOUKLITHWMNPWMM-UHFFFAOYSA-N
XLogP0.53
TPSA56.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.53
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-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one (CID 6500465) is 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one is CN(C)c1cc2c(cc1N)n(C)c(=O)n2C.
What is the InChIKey of 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OUKLITHWMNPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-13(2)8-6-10-9(5-7(8)12)14(3)11(16)15(10)4/h5-6H,12H2,1-4H3.
What are the key properties of 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one?
5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(dimethylamino)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6500465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).