2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide

C10H17N3O2 — CID 71019100

IUPAC2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
SMILESCC(C)CCn1cc(CC(N)=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-7(2)3-4-13-6-8(5-9(11)14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyZYCQYPLBTSUTLZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.25
Rot. Bonds5

About 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide

2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide (PubChem CID 71019100) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
PubChem CID71019100
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
SMILESCC(C)CCn1cc(CC(N)=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-7(2)3-4-13-6-8(5-9(11)14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyZYCQYPLBTSUTLZ-UHFFFAOYSA-N
XLogP0.25
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019097
2-[3-(2-fluoroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 89193221
3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
CID 18384319
5-(2-methylpropyl)-3-propyl-1H-imidazol-2-one
CID 18384362
2-[3-(3-methylbutyl)-2-sulfanylidene-1H-imidazol-5-yl]propanamide
CID 71018894
2-[3-(3-methylbutyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
CID 71018901
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 71019090
2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]propanamide
CID 71019092
2-[3-(2-chloroethyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 89193217
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
3-butanoyl-5-ethyl-1H-imidazol-2-one
CID 154446076

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide (CID 71019100) is 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide is CC(C)CCn1cc(CC(N)=O)[nH]c1=O.
What is the InChIKey of 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The InChIKey is ZYCQYPLBTSUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)3-4-13-6-8(5-9(11)14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide has a molecular weight of 211.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide is sourced from PubChem (CID 71019100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).