1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid

C16H13BrN2O2 — CID 107638215

IUPAC1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1c(Br)cccc1-n1c(C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H13BrN2O2/c1-9-12(17)4-3-5-14(9)19-10(2)18-13-8-11(16(20)21)6-7-15(13)19/h3-8H,1-2H3,(H,20,21)
InChIKeyMBROQIKQJVZQPK-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.10
Rot. Bonds2

About 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 107638215) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID107638215
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1c(Br)cccc1-n1c(C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H13BrN2O2/c1-9-12(17)4-3-5-14(9)19-10(2)18-13-8-11(16(20)21)6-7-15(13)19/h3-8H,1-2H3,(H,20,21)
InChIKeyMBROQIKQJVZQPK-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63549022
1-(3-bromo-2-methylphenyl)benzotriazole-5-carboxylic acid
CID 107636448
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107638219
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638237
3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82769925
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43140417
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
3-(2-bromophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82769763

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 107638215) is 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1c(Br)cccc1-n1c(C)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is MBROQIKQJVZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-9-12(17)4-3-5-14(9)19-10(2)18-13-8-11(16(20)21)6-7-15(13)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 345.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 107638215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).