1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate

C9H14N2O2 — CID 54274629

IUPAC1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ncc[nH]1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)8(12)13-6-7-10-4-5-11-7/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyRMOCLAOEMIMGCV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.50
Rot. Bonds2

About 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate

1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate (PubChem CID 54274629) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
PubChem CID54274629
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ncc[nH]1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)8(12)13-6-7-10-4-5-11-7/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyRMOCLAOEMIMGCV-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-2-ylmethyl carbamate
CID 23172617
1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
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2-(1H-imidazol-2-ylmethoxy)acetic acid
CID 19766370
1,3-thiazol-2-ylmethyl 2,2-dimethylpropanoate
CID 68640764
(2S)-2-amino-2-(1H-imidazol-2-ylmethyl)-3-oxo-3-phenylmethoxypropanoic acid
CID 151949321
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
CID 175971340
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2-ethyl-1H-imidazole;methanol
CID 176573862
2-(1-bromoethoxymethyl)-1H-imidazole
CID 141093842

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate?
The IUPAC name of 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate (CID 54274629) is 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate?
The canonical SMILES for 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate?
The InChIKey is RMOCLAOEMIMGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)8(12)13-6-7-10-4-5-11-7/h4-5H,6H2,1-3H3,(H,10,11).
What are the key properties of 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate?
1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate has a molecular weight of 182.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 54274629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).