2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid

C15H11BrN2O2 — CID 63893020

IUPAC2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2ccc(Br)cc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H11BrN2O2/c1-18-13-7-4-10(15(19)20)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,19,20)
InChIKeyYDXXXTUVMAQSPP-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid

2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 63893020) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID63893020
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2ccc(Br)cc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H11BrN2O2/c1-18-13-7-4-10(15(19)20)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,19,20)
InChIKeyYDXXXTUVMAQSPP-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 114373947
2-(2,4-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107939577
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
2-(2-bromo-3-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107983033
1-methyl-2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]benzimidazole-5-carboxylic acid
CID 125446663
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63891341
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
CID 122690142
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 65210202
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid (CID 63893020) is 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid is Cn1c(-c2ccc(Br)cc2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is YDXXXTUVMAQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-18-13-7-4-10(15(19)20)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid?
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 331.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 63893020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).