1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid

C11H8Br2N2O2 — CID 163213905

IUPAC1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H8Br2N2O2/c12-8-3-7(4-9(13)5-8)6-15-2-1-14-10(15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKeyLQWOJDRXMAFUSC-UHFFFAOYSA-N
MW360.01 g/mol
LogP3.15
Rot. Bonds3

About 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid

1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid (PubChem CID 163213905) has the molecular formula C11H8Br2N2O2 and a molecular weight of 360.01 g/mol. Its IUPAC name is 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid
PubChem CID163213905
Molecular FormulaC11H8Br2N2O2
Molecular Weight360.01 g/mol
Exact Mass357.90
IUPAC Name1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H8Br2N2O2/c12-8-3-7(4-9(13)5-8)6-15-2-1-14-10(15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKeyLQWOJDRXMAFUSC-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.01
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid (CID 163213905) is 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid is O=C(O)c1nccn1Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid?
The InChIKey is LQWOJDRXMAFUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O2/c12-8-3-7(4-9(13)5-8)6-15-2-1-14-10(15)11(16)17/h1-5H,6H2,(H,16,17).
What are the key properties of 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid?
1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid has a molecular weight of 360.01 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dibromophenyl)methyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 163213905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).