tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate

C12H21N3O2 — CID 102970151

IUPACtert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESCc1nc(CCNC(=O)OC(C)(C)C)[nH]c1C
InChIInChI=1S/C12H21N3O2/c1-8-9(2)15-10(14-8)6-7-13-11(16)17-12(3,4)5/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyISUUSJPNVUJZHE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate (PubChem CID 102970151) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
PubChem CID102970151
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESCc1nc(CCNC(=O)OC(C)(C)C)[nH]c1C
InChIInChI=1S/C12H21N3O2/c1-8-9(2)15-10(14-8)6-7-13-11(16)17-12(3,4)5/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyISUUSJPNVUJZHE-UHFFFAOYSA-N
XLogP2.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[5-methyl-4-(1-methylpyridin-1-ium-3-yl)-1H-imidazol-2-yl]ethyl]carbamate
CID 123984153
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
tert-butyl N-[2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 102970592
tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-2-hydroxyethyl]carbamate
CID 102970126
tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate
CID 102970150
tert-butyl N-[2-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]ethyl]carbamate
CID 66486680
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-[3-[[N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887055
tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
CID 22414662
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(2-chloro-4,5-dimethylimidazol-1-yl)ethyl]carbamate
CID 139555936
tert-butyl N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]carbamate
CID 546504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate (CID 102970151) is tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate is Cc1nc(CCNC(=O)OC(C)(C)C)[nH]c1C.
What is the InChIKey of tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate?
The InChIKey is ISUUSJPNVUJZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-9(2)15-10(14-8)6-7-13-11(16)17-12(3,4)5/h6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate has a molecular weight of 239.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 102970151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).