1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one

C11H13N3O2 — CID 69377937

IUPAC1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one
SMILESCNCC(=O)n1c(=O)n(C)c2ccccc21
InChIInChI=1S/C11H13N3O2/c1-12-7-10(15)14-9-6-4-3-5-8(9)13(2)11(14)16/h3-6,12H,7H2,1-2H3
InChIKeyCDMGOFJIFNEWSU-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.20
Rot. Bonds2

About 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one

1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one (PubChem CID 69377937) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one
PubChem CID69377937
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one
SMILESCNCC(=O)n1c(=O)n(C)c2ccccc21
InChIInChI=1S/C11H13N3O2/c1-12-7-10(15)14-9-6-4-3-5-8(9)13(2)11(14)16/h3-6,12H,7H2,1-2H3
InChIKeyCDMGOFJIFNEWSU-UHFFFAOYSA-N
XLogP0.20
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one (CID 69377937) is 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one is CNCC(=O)n1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one?
The InChIKey is CDMGOFJIFNEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-7-10(15)14-9-6-4-3-5-8(9)13(2)11(14)16/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one?
1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)acetyl]benzimidazol-2-one is sourced from PubChem (CID 69377937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).