N-tert-butyl-2-(1H-imidazol-5-yl)acetamide

C9H15N3O — CID 25128925

IUPACN-tert-butyl-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1cnc[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,3)12-8(13)4-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyCTKBTTBMDBHDDV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds2

About N-tert-butyl-2-(1H-imidazol-5-yl)acetamide

N-tert-butyl-2-(1H-imidazol-5-yl)acetamide (PubChem CID 25128925) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-tert-butyl-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1H-imidazol-5-yl)acetamide
PubChem CID25128925
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-tert-butyl-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1cnc[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,3)12-8(13)4-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyCTKBTTBMDBHDDV-UHFFFAOYSA-N
XLogP0.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-5-yl)-N-(2-methylphenyl)acetamide
CID 110684137
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
N-(2-tert-butylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684157
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
N-(2,6-diethylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684155
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
CID 118336768
N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684062
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
methyl (2S)-2-(tert-butylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876554
3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 67121943

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1H-imidazol-5-yl)acetamide (CID 25128925) is N-tert-butyl-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1H-imidazol-5-yl)acetamide is CC(C)(C)NC(=O)Cc1cnc[nH]1.
What is the InChIKey of N-tert-butyl-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is CTKBTTBMDBHDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)12-8(13)4-7-5-10-6-11-7/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of N-tert-butyl-2-(1H-imidazol-5-yl)acetamide?
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 25128925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).