methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate

C11H18N4O2 — CID 123407176

IUPACmethyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
SMILESCOC(=O)C(N1C=CN(C)C1)N1C=CN(C)C1
InChIInChI=1S/C11H18N4O2/c1-12-4-6-14(8-12)10(11(16)17-3)15-7-5-13(2)9-15/h4-7,10H,8-9H2,1-3H3
InChIKeyNPNMCLLQMGTCQL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.16
Rot. Bonds3

About methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate

methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 123407176) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID123407176
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
SMILESCOC(=O)C(N1C=CN(C)C1)N1C=CN(C)C1
InChIInChI=1S/C11H18N4O2/c1-12-4-6-14(8-12)10(11(16)17-3)15-7-5-13(2)9-15/h4-7,10H,8-9H2,1-3H3
InChIKeyNPNMCLLQMGTCQL-UHFFFAOYSA-N
XLogP-0.16
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 175750899
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1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
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methyl 2,2-dipyrrolidin-1-ylacetate
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(3-methyl-2H-imidazol-1-yl) (2S)-2,6-diaminohexanoate
CID 174663440
1-[1,20-diiodo-20-(3-methyl-2H-imidazol-1-yl)icosyl]-3-methyl-2H-imidazole
CID 67442015
1,3-dimethyl-2H-imidazole hexafluorophosphate
CID 158907533
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 174844241
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CID 70505716
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CID 173329866

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate (CID 123407176) is methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate is COC(=O)C(N1C=CN(C)C1)N1C=CN(C)C1.
What is the InChIKey of methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is NPNMCLLQMGTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-4-6-14(8-12)10(11(16)17-3)15-7-5-13(2)9-15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate?
methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 238.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 123407176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).