methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

C11H9BrN2O3 — CID 117225220

IUPACmethyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCOC(=O)c1[nH]c(=O)[nH]c1-c1ccccc1Br
InChIInChI=1S/C11H9BrN2O3/c1-17-10(15)9-8(13-11(16)14-9)6-4-2-3-5-7(6)12/h2-5H,1H3,(H2,13,14,16)
InChIKeyKSFDEHLPPVQTDQ-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.92
Rot. Bonds2

About methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 117225220) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID117225220
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Namemethyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCOC(=O)c1[nH]c(=O)[nH]c1-c1ccccc1Br
InChIInChI=1S/C11H9BrN2O3/c1-17-10(15)9-8(13-11(16)14-9)6-4-2-3-5-7(6)12/h2-5H,1H3,(H2,13,14,16)
InChIKeyKSFDEHLPPVQTDQ-UHFFFAOYSA-N
XLogP1.92
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-bromophenyl)-1H-pyrrole-2-carboxylate
CID 117222354
methyl 5-(2-fluorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225224
methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 13290682
methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225123
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
methyl 2-(2-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61414281
ethane;methyl 5-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 170711792
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
methyl 2-bromo-6-phenylbenzoate
CID 13352656
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
methyl 3-(2-bromophenyl)-2-fluoroazirine-2-carboxylate
CID 146170149
methyl 4,5-dioxo-1H-benzo[g]indole-2-carboxylate
CID 14969611

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 117225220) is methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is COC(=O)c1[nH]c(=O)[nH]c1-c1ccccc1Br.
What is the InChIKey of methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is KSFDEHLPPVQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-17-10(15)9-8(13-11(16)14-9)6-4-2-3-5-7(6)12/h2-5H,1H3,(H2,13,14,16).
What are the key properties of methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 297.11 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 117225220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).