(3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide

C7H13BrN2O2 — CID 174936841

IUPAC(3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide
SMILESBr.CCC(=O)ON1C=CN(C)C1
InChIInChI=1S/C7H12N2O2.BrH/c1-3-7(10)11-9-5-4-8(2)6-9;/h4-5H,3,6H2,1-2H3;1H
InChIKeyFOYNIYVYWZGAAD-UHFFFAOYSA-N
MW237.10 g/mol
LogP1.11
Rot. Bonds2

About (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide

(3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide (PubChem CID 174936841) has the molecular formula C7H13BrN2O2 and a molecular weight of 237.10 g/mol. Its IUPAC name is (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide.

Molecular Properties

Compound Name(3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide
PubChem CID174936841
Molecular FormulaC7H13BrN2O2
Molecular Weight237.10 g/mol
Exact Mass236.02
IUPAC Name(3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide
SMILESBr.CCC(=O)ON1C=CN(C)C1
InChIInChI=1S/C7H12N2O2.BrH/c1-3-7(10)11-9-5-4-8(2)6-9;/h4-5H,3,6H2,1-2H3;1H
InChIKeyFOYNIYVYWZGAAD-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-(1-hydroxyethyl) 2-O-(3-methyl-2H-imidazol-1-yl) oxalate
CID 175020689
4,5-dihydroimidazol-1-yl propanoate
CID 56996617
(3-methyl-2H-imidazol-1-yl) (2S)-2,6-diaminohexanoate
CID 174663440
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
1-ethyl-3-methyl-2H-imidazole;propanoate
CID 162288775
diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
propyl 2-(3-methyl-2H-imidazol-1-yl)acetate
CID 67523197
2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid
CID 175446864
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 174844241
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
CID 173113651

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide?
The IUPAC name of (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide (CID 174936841) is (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide.
What is the SMILES notation for (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide?
The canonical SMILES for (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide is Br.CCC(=O)ON1C=CN(C)C1.
What is the InChIKey of (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide?
The InChIKey is FOYNIYVYWZGAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.BrH/c1-3-7(10)11-9-5-4-8(2)6-9;/h4-5H,3,6H2,1-2H3;1H.
What are the key properties of (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide?
(3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide has a molecular weight of 237.10 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-imidazol-1-yl) propanoate;hydrobromide is sourced from PubChem (CID 174936841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).