N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide

C8H13N3O — CID 169168176

IUPACN,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide
SMILESCc1cn(CC(=O)N(C)C)cn1
InChIInChI=1S/C8H13N3O/c1-7-4-11(6-9-7)5-8(12)10(2)3/h4,6H,5H2,1-3H3
InChIKeyVIRHYNRPDHSBKW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.28
Rot. Bonds2

About N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide

N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide (PubChem CID 169168176) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide
PubChem CID169168176
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide
SMILESCc1cn(CC(=O)N(C)C)cn1
InChIInChI=1S/C8H13N3O/c1-7-4-11(6-9-7)5-8(12)10(2)3/h4,6H,5H2,1-3H3
InChIKeyVIRHYNRPDHSBKW-UHFFFAOYSA-N
XLogP0.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide (CID 169168176) is N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide is Cc1cn(CC(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide?
The InChIKey is VIRHYNRPDHSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-4-11(6-9-7)5-8(12)10(2)3/h4,6H,5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide?
N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 169168176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).