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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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 188401
1-[4-(4-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065549
1-[4-(2,4-Dimethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065552
N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065558
N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 15065560
1,1,3-Trimethyl-3-[4-(5-methylimidazol-1-yl)but-2-ynyl]urea
CID 15065574
1-Methyl-3-[4-(5-methylimidazol-1-yl)but-2-ynyl]imidazolidin-2-one
CID 15065578
1,3-Dihydro-1-methyl-3-[4-(5-methyl-1H-imidazol-1-yl)-2-butynyl]-2H-imidazol-2-one
CID 15065580
1-[5-(5-Methylimidazol-1-yl)pent-3-yn-2-yl]pyrrolidin-2-one
CID 15065585

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).