2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid

C12H11BrN2O2 — CID 84815406

IUPAC2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(C2CC2)nc2cccc(Br)c21
InChIInChI=1S/C12H11BrN2O2/c13-8-2-1-3-9-11(8)15(6-10(16)17)12(14-9)7-4-5-7/h1-3,7H,4-6H2,(H,16,17)
InChIKeyJYCMXJKZSGEWJG-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.76
Rot. Bonds3

About 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid

2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid (PubChem CID 84815406) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid
PubChem CID84815406
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(C2CC2)nc2cccc(Br)c21
InChIInChI=1S/C12H11BrN2O2/c13-8-2-1-3-9-11(8)15(6-10(16)17)12(14-9)7-4-5-7/h1-3,7H,4-6H2,(H,16,17)
InChIKeyJYCMXJKZSGEWJG-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
2-cyclopropyl-3-(thiolan-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 115933628
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 118975757
2-(2-chloro-7-hydroxybenzimidazol-1-yl)acetic acid
CID 84791106
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
CID 115933617
2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid
CID 84809231
2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115933226
(3R)-3-(2-chlorophenyl)-3-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]propanoic acid
CID 97233557
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid (CID 84815406) is 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(C2CC2)nc2cccc(Br)c21.
What is the InChIKey of 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid?
The InChIKey is JYCMXJKZSGEWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-8-2-1-3-9-11(8)15(6-10(16)17)12(14-9)7-4-5-7/h1-3,7H,4-6H2,(H,16,17).
What are the key properties of 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid?
2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid has a molecular weight of 295.14 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84815406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).