(2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate

C6H7BrN2O3 — CID 130303108

IUPAC(2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate
SMILESCOC(=O)Oc1nc(Br)[nH]c1C
InChIInChI=1S/C6H7BrN2O3/c1-3-4(9-5(7)8-3)12-6(10)11-2/h1-2H3,(H,8,9)
InChIKeyDRLQTNRHGHAOSJ-UHFFFAOYSA-N
MW235.04 g/mol
LogP1.63
Rot. Bonds1

About (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate

(2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate (PubChem CID 130303108) has the molecular formula C6H7BrN2O3 and a molecular weight of 235.04 g/mol. Its IUPAC name is (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate.

Molecular Properties

Compound Name(2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate
PubChem CID130303108
Molecular FormulaC6H7BrN2O3
Molecular Weight235.04 g/mol
Exact Mass233.96
IUPAC Name(2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate
SMILESCOC(=O)Oc1nc(Br)[nH]c1C
InChIInChI=1S/C6H7BrN2O3/c1-3-4(9-5(7)8-3)12-6(10)11-2/h1-2H3,(H,8,9)
InChIKeyDRLQTNRHGHAOSJ-UHFFFAOYSA-N
XLogP1.63
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5-dimethyl-1H-imidazole
CID 13085889
(2-bromo-5-methyl-1H-imidazol-4-yl) carbamate
CID 20256498
(2-chloro-5-methyl-1H-imidazol-4-yl) ethyl carbonate
CID 21652109
(2-chloro-5-methyl-1H-imidazol-4-yl) methyl carbonate
CID 21652115
(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 22938625
ethyl (5-methyl-1H-imidazol-4-yl) carbonate
CID 66668891
2,4-dimethoxy-5-methyl-1H-imidazole
CID 68982657
[2-bromo-5-[(E)-2-methoxyethenyl]-1H-imidazol-4-yl] methyl carbonate
CID 69399606
(2-bromo-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 70426134
(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate
CID 70458790
(5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 70570863
[2-bromo-5-(2-methoxyethenyl)-1H-imidazol-4-yl] formate
CID 90886361

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate?
The IUPAC name of (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate (CID 130303108) is (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate.
What is the SMILES notation for (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate?
The canonical SMILES for (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate is COC(=O)Oc1nc(Br)[nH]c1C.
What is the InChIKey of (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate?
The InChIKey is DRLQTNRHGHAOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3/c1-3-4(9-5(7)8-3)12-6(10)11-2/h1-2H3,(H,8,9).
What are the key properties of (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate?
(2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate has a molecular weight of 235.04 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methyl-1H-imidazol-4-yl) methyl carbonate is sourced from PubChem (CID 130303108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).