methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate

C10H9BrN2O3 — CID 131608298

IUPACmethyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]c(=O)n(C)c2cc1Br
InChIInChI=1S/C10H9BrN2O3/c1-13-8-4-6(11)5(9(14)16-2)3-7(8)12-10(13)15/h3-4H,1-2H3,(H,12,15)
InChIKeyLURQSGBYVBLKLG-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.42
Rot. Bonds1

About methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate

methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate (PubChem CID 131608298) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
PubChem CID131608298
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Namemethyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]c(=O)n(C)c2cc1Br
InChIInChI=1S/C10H9BrN2O3/c1-13-8-4-6(11)5(9(14)16-2)3-7(8)12-10(13)15/h3-4H,1-2H3,(H,12,15)
InChIKeyLURQSGBYVBLKLG-UHFFFAOYSA-N
XLogP1.42
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3,6-dimethyl-1H-benzimidazol-2-one;ethane
CID 177355002
methyl 6-bromo-3-ethyl-2-oxo-4-sulfanylidene-1H-quinazoline-7-carboxylate
CID 170981602
methyl 6-bromo-1-methyl-3-(1-methylcyclopropyl)-2-oxobenzimidazole-5-carboxylate
CID 169194958
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
CID 165172104
6-bromo-3-methyl-2-oxo-1H-benzimidazole-5-carbaldehyde
CID 83901004
methyl 5-bromo-1,3,3-trimethyl-2-oxoindole-6-carboxylate
CID 156537382
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
5,6-diamino-3-methyl-1H-benzimidazol-2-one
CID 10910122
methyl 5-bromo-3-methoxy-1,3-dimethyl-2-oxoindole-6-carboxylate
CID 156548154
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 2-acetyl-5-bromo-1-methyl-6-oxopyridine-3-carboxylate
CID 168985380
methyl 3,6-dibromo-1H-indole-4-carboxylate
CID 126970229

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate (CID 131608298) is methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate is COC(=O)c1cc2[nH]c(=O)n(C)c2cc1Br.
What is the InChIKey of methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate?
The InChIKey is LURQSGBYVBLKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-13-8-4-6(11)5(9(14)16-2)3-7(8)12-10(13)15/h3-4H,1-2H3,(H,12,15).
What are the key properties of methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate?
methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate has a molecular weight of 285.10 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 131608298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).