N-(4,5-diethyl-1H-imidazol-2-yl)acetamide

C9H15N3O — CID 139230303

IUPACN-(4,5-diethyl-1H-imidazol-2-yl)acetamide
SMILESCCc1nc(NC(C)=O)[nH]c1CC
InChIInChI=1S/C9H15N3O/c1-4-7-8(5-2)12-9(11-7)10-6(3)13/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyJYYJRCYITVMIOJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.49
Rot. Bonds3

About N-(4,5-diethyl-1H-imidazol-2-yl)acetamide

N-(4,5-diethyl-1H-imidazol-2-yl)acetamide (PubChem CID 139230303) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(4,5-diethyl-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-diethyl-1H-imidazol-2-yl)acetamide
PubChem CID139230303
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(4,5-diethyl-1H-imidazol-2-yl)acetamide
SMILESCCc1nc(NC(C)=O)[nH]c1CC
InChIInChI=1S/C9H15N3O/c1-4-7-8(5-2)12-9(11-7)10-6(3)13/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyJYYJRCYITVMIOJ-UHFFFAOYSA-N
XLogP1.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diethyl-1H-imidazol-2-yl)acetamide?
The IUPAC name of N-(4,5-diethyl-1H-imidazol-2-yl)acetamide (CID 139230303) is N-(4,5-diethyl-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-(4,5-diethyl-1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-(4,5-diethyl-1H-imidazol-2-yl)acetamide is CCc1nc(NC(C)=O)[nH]c1CC.
What is the InChIKey of N-(4,5-diethyl-1H-imidazol-2-yl)acetamide?
The InChIKey is JYYJRCYITVMIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7-8(5-2)12-9(11-7)10-6(3)13/h4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N-(4,5-diethyl-1H-imidazol-2-yl)acetamide?
N-(4,5-diethyl-1H-imidazol-2-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diethyl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 139230303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).