7-bromo-1-methylbenzimidazole-5-carboxylic acid

C9H7BrN2O2 — CID 75487801

IUPAC7-bromo-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1cnc2cc(C(=O)O)cc(Br)c21
InChIInChI=1S/C9H7BrN2O2/c1-12-4-11-7-3-5(9(13)14)2-6(10)8(7)12/h2-4H,1H3,(H,13,14)
InChIKeyQULMWIPEALVRGG-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.03
Rot. Bonds1

About 7-bromo-1-methylbenzimidazole-5-carboxylic acid

7-bromo-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 75487801) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-methylbenzimidazole-5-carboxylic acid
PubChem CID75487801
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1cnc2cc(C(=O)O)cc(Br)c21
InChIInChI=1S/C9H7BrN2O2/c1-12-4-11-7-3-5(9(13)14)2-6(10)8(7)12/h2-4H,1H3,(H,13,14)
InChIKeyQULMWIPEALVRGG-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-methyl-1-propylbenzimidazole-5-carboxylic acid
CID 75487828
3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine
CID 83902839
3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid
CID 157085723
1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 138040516
3-methylimidazo[4,5-c]pyridine-4-carboxylic acid
CID 84655857
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
3,4-dibromo-2H-indazole-6-carboxylic acid
CID 24728404
3,4-dibromo-5-chlorobenzoic acid
CID 81429193
3,5-dibromo-4-(methylamino)benzoic acid
CID 170560173
3,4-dibromo-5-methoxybenzoic acid
CID 171002426

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 7-bromo-1-methylbenzimidazole-5-carboxylic acid (CID 75487801) is 7-bromo-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-bromo-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 7-bromo-1-methylbenzimidazole-5-carboxylic acid is Cn1cnc2cc(C(=O)O)cc(Br)c21.
What is the InChIKey of 7-bromo-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is QULMWIPEALVRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-12-4-11-7-3-5(9(13)14)2-6(10)8(7)12/h2-4H,1H3,(H,13,14).
What are the key properties of 7-bromo-1-methylbenzimidazole-5-carboxylic acid?
7-bromo-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 75487801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).