2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid

C9H7BrN2O3 — CID 84809231

IUPAC2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]c2cccc(Br)c21
InChIInChI=1S/C9H7BrN2O3/c10-5-2-1-3-6-8(5)12(4-7(13)14)9(15)11-6/h1-3H,4H2,(H,11,15)(H,13,14)
InChIKeyBICMGNCKABCDOB-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.18
Rot. Bonds2

About 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid

2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid (PubChem CID 84809231) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid
PubChem CID84809231
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]c2cccc(Br)c21
InChIInChI=1S/C9H7BrN2O3/c10-5-2-1-3-6-8(5)12(4-7(13)14)9(15)11-6/h1-3H,4H2,(H,11,15)(H,13,14)
InChIKeyBICMGNCKABCDOB-UHFFFAOYSA-N
XLogP1.18
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(2-methylpropyl)-1H-benzimidazol-2-one
CID 117209124
4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
CID 117209127
3-acetyl-4-bromo-1H-benzimidazol-2-one
CID 18449361
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-[(3-bromophenyl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931543
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
3-[(5-bromothiophen-2-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931682
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
2-(6-chloro-2-oxo-3H-benzimidazol-1-yl)acetic acid
CID 10704472
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid
CID 84815406
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid (CID 84809231) is 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid is O=C(O)Cn1c(=O)[nH]c2cccc(Br)c21.
What is the InChIKey of 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid?
The InChIKey is BICMGNCKABCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-5-2-1-3-6-8(5)12(4-7(13)14)9(15)11-6/h1-3H,4H2,(H,11,15)(H,13,14).
What are the key properties of 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid?
2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid has a molecular weight of 271.07 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84809231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).