1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10Br2N2O2 — CID 63549022

IUPAC1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1cc(Br)ccc1Br
InChIInChI=1S/C15H10Br2N2O2/c1-8-18-12-6-9(15(20)21)2-5-13(12)19(8)14-7-10(16)3-4-11(14)17/h2-7H,1H3,(H,20,21)
InChIKeyXMHLPJJZZBFZSP-UHFFFAOYSA-N
MW410.07 g/mol
LogP4.56
Rot. Bonds2

About 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 63549022) has the molecular formula C15H10Br2N2O2 and a molecular weight of 410.07 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID63549022
Molecular FormulaC15H10Br2N2O2
Molecular Weight410.07 g/mol
Exact Mass407.91
IUPAC Name1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1cc(Br)ccc1Br
InChIInChI=1S/C15H10Br2N2O2/c1-8-18-12-6-9(15(20)21)2-5-13(12)19(8)14-7-10(16)3-4-11(14)17/h2-7H,1H3,(H,20,21)
InChIKeyXMHLPJJZZBFZSP-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638215
1-(2,5-dibromophenyl)benzotriazole-5-carboxylic acid
CID 63527676
2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 114373947
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638237
3-(4-bromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82791461
2-(2,4-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107939577
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82769925
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 63549022) is 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is XMHLPJJZZBFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2/c1-8-18-12-6-9(15(20)21)2-5-13(12)19(8)14-7-10(16)3-4-11(14)17/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 410.07 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 63549022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).