ethane;2-imidazol-1-yl-N,N-dimethylacetamide

C9H17N3O — CID 171641946

IUPACethane;2-imidazol-1-yl-N,N-dimethylacetamide
SMILESCC.CN(C)C(=O)Cn1ccnc1
InChIInChI=1S/C7H11N3O.C2H6/c1-9(2)7(11)5-10-4-3-8-6-10;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyJYGWGIPHKFDUKF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.00
Rot. Bonds2

About ethane;2-imidazol-1-yl-N,N-dimethylacetamide

ethane;2-imidazol-1-yl-N,N-dimethylacetamide (PubChem CID 171641946) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;2-imidazol-1-yl-N,N-dimethylacetamide.

Molecular Properties

Compound Nameethane;2-imidazol-1-yl-N,N-dimethylacetamide
PubChem CID171641946
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Nameethane;2-imidazol-1-yl-N,N-dimethylacetamide
SMILESCC.CN(C)C(=O)Cn1ccnc1
InChIInChI=1S/C7H11N3O.C2H6/c1-9(2)7(11)5-10-4-3-8-6-10;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyJYGWGIPHKFDUKF-UHFFFAOYSA-N
XLogP1.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-imidazol-1-yl-N-methylacetamide
CID 43290830
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
CID 13269102
2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide
CID 121273554
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
CID 166627921
N,N-dimethyl-2-(triazol-2-yl)acetamide
CID 130622373
N-cyclopropyl-2-imidazol-1-yl-N-(pyridin-4-ylmethyl)acetamide
CID 91777308
imidazol-1-ylmethylcarbamic acid
CID 175455215
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
CID 95908382
2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine
CID 111030780
1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone
CID 174883064

Frequently Asked Questions

What is the IUPAC name of ethane;2-imidazol-1-yl-N,N-dimethylacetamide?
The IUPAC name of ethane;2-imidazol-1-yl-N,N-dimethylacetamide (CID 171641946) is ethane;2-imidazol-1-yl-N,N-dimethylacetamide.
What is the SMILES notation for ethane;2-imidazol-1-yl-N,N-dimethylacetamide?
The canonical SMILES for ethane;2-imidazol-1-yl-N,N-dimethylacetamide is CC.CN(C)C(=O)Cn1ccnc1.
What is the InChIKey of ethane;2-imidazol-1-yl-N,N-dimethylacetamide?
The InChIKey is JYGWGIPHKFDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C2H6/c1-9(2)7(11)5-10-4-3-8-6-10;1-2/h3-4,6H,5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-imidazol-1-yl-N,N-dimethylacetamide?
ethane;2-imidazol-1-yl-N,N-dimethylacetamide has a molecular weight of 183.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-imidazol-1-yl-N,N-dimethylacetamide is sourced from PubChem (CID 171641946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).