propyl 2-(3-methyl-2H-imidazol-1-yl)acetate

C9H16N2O2 — CID 67523197

IUPACpropyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C9H16N2O2/c1-3-6-13-9(12)7-11-5-4-10(2)8-11/h4-5H,3,6-8H2,1-2H3
InChIKeyQTIOVKMVHDJPAC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.62
Rot. Bonds4

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

propyl 2-(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 67523197) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is propyl 2-(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID67523197
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namepropyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C9H16N2O2/c1-3-6-13-9(12)7-11-5-4-10(2)8-11/h4-5H,3,6-8H2,1-2H3
InChIKeyQTIOVKMVHDJPAC-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(3-methyl-2H-imidazol-1-yl)acetate;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87942624
2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
CID 90948473
(3-methyl-2H-imidazol-1-yl)methyl hexadecanoate
CID 57210915
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine
CID 123734541
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-dodecyl-3-methyl-2H-imidazole;sulfo hydrogen sulfate
CID 174593258
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
4-(3-methyl-2H-imidazol-1-yl)butan-2-one
CID 23115695

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of propyl 2-(3-methyl-2H-imidazol-1-yl)acetate (CID 67523197) is propyl 2-(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for propyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for propyl 2-(3-methyl-2H-imidazol-1-yl)acetate is CCCOC(=O)CN1C=CN(C)C1.
What is the InChIKey of propyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is QTIOVKMVHDJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-6-13-9(12)7-11-5-4-10(2)8-11/h4-5H,3,6-8H2,1-2H3.
What are the key properties of propyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
propyl 2-(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 184.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 67523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).