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

C15H10Br2N2O2 — CID 114373947

IUPAC2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2cc(Br)ccc2Br)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H10Br2N2O2/c1-19-13-5-2-8(15(20)21)6-12(13)18-14(19)10-7-9(16)3-4-11(10)17/h2-7H,1H3,(H,20,21)
InChIKeyDLAHIBXHXJIKAH-UHFFFAOYSA-N
MW410.07 g/mol
LogP4.46
Rot. Bonds2

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

2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 114373947) has the molecular formula C15H10Br2N2O2 and a molecular weight of 410.07 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID114373947
Molecular FormulaC15H10Br2N2O2
Molecular Weight410.07 g/mol
Exact Mass407.91
IUPAC Name2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2cc(Br)ccc2Br)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H10Br2N2O2/c1-19-13-5-2-8(15(20)21)6-12(13)18-14(19)10-7-9(16)3-4-11(10)17/h2-7H,1H3,(H,20,21)
InChIKeyDLAHIBXHXJIKAH-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107939577
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
2-(2-bromo-3-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107983033
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63549022
2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
CID 105063785
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63891341
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
[2-(2,5-dibromophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114375973
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid (CID 114373947) is 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid is Cn1c(-c2cc(Br)ccc2Br)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is DLAHIBXHXJIKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2/c1-19-13-5-2-8(15(20)21)6-12(13)18-14(19)10-7-9(16)3-4-11(10)17/h2-7H,1H3,(H,20,21).
What are the key properties of 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 410.07 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 114373947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).