N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C12H15N3O2 — CID 664799

IUPACN,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C12H15N3O2/c1-13(2)11(16)8-15-10-7-5-4-6-9(10)14(3)12(15)17/h4-7H,8H2,1-3H3
InChIKeyDLCPIOUDSXLRRW-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.43
Rot. Bonds2

About N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 664799) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID664799
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C12H15N3O2/c1-13(2)11(16)8-15-10-7-5-4-6-9(10)14(3)12(15)17/h4-7H,8H2,1-3H3
InChIKeyDLCPIOUDSXLRRW-UHFFFAOYSA-N
XLogP0.43
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 664799) is N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CN(C)C(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is DLCPIOUDSXLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13(2)11(16)8-15-10-7-5-4-6-9(10)14(3)12(15)17/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 664799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).