methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate

C9H7BrN2O3 — CID 62278381

IUPACmethyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Br)o2)[nH]1
InChIInChI=1S/C9H7BrN2O3/c1-14-9(13)5-4-11-8(12-5)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12)
InChIKeyLKPCECAWJYIDIY-UHFFFAOYSA-N
MW271.07 g/mol
LogP2.22
Rot. Bonds2

About methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate

methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate (PubChem CID 62278381) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
PubChem CID62278381
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Namemethyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Br)o2)[nH]1
InChIInChI=1S/C9H7BrN2O3/c1-14-9(13)5-4-11-8(12-5)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12)
InChIKeyLKPCECAWJYIDIY-UHFFFAOYSA-N
XLogP2.22
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate (CID 62278381) is methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(Br)o2)[nH]1.
What is the InChIKey of methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate?
The InChIKey is LKPCECAWJYIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c1-14-9(13)5-4-11-8(12-5)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12).
What are the key properties of methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate?
methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate has a molecular weight of 271.07 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 62278381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).