5-bromo-1-cyclopentylimidazole-2-carboxylic acid

C9H11BrN2O2 — CID 83901767

IUPAC5-bromo-1-cyclopentylimidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)n1C1CCCC1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-8(9(13)14)12(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyRWCDMTZGKQHXHJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.46
Rot. Bonds2

About 5-bromo-1-cyclopentylimidazole-2-carboxylic acid

5-bromo-1-cyclopentylimidazole-2-carboxylic acid (PubChem CID 83901767) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-1-cyclopentylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-cyclopentylimidazole-2-carboxylic acid
PubChem CID83901767
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-1-cyclopentylimidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)n1C1CCCC1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-8(9(13)14)12(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyRWCDMTZGKQHXHJ-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693098
5-bromo-1-cyclobutyl-2-methoxyimidazole
CID 172993203
1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
4-cyclobutyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid
CID 83880491
2-(1-cyclopentyl-5-methylimidazol-2-yl)acetic acid
CID 83883906
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
4-bromo-3-cyclohexyl-1H-imidazol-2-one
CID 172993329
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
CID 175750682
3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
5-bromo-2-cyclopentyltriazole-4-carboxylic acid
CID 141279462
2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid
CID 115050709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopentylimidazole-2-carboxylic acid?
The IUPAC name of 5-bromo-1-cyclopentylimidazole-2-carboxylic acid (CID 83901767) is 5-bromo-1-cyclopentylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1-cyclopentylimidazole-2-carboxylic acid?
The canonical SMILES for 5-bromo-1-cyclopentylimidazole-2-carboxylic acid is O=C(O)c1ncc(Br)n1C1CCCC1.
What is the InChIKey of 5-bromo-1-cyclopentylimidazole-2-carboxylic acid?
The InChIKey is RWCDMTZGKQHXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-5-11-8(9(13)14)12(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14).
What are the key properties of 5-bromo-1-cyclopentylimidazole-2-carboxylic acid?
5-bromo-1-cyclopentylimidazole-2-carboxylic acid has a molecular weight of 259.10 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopentylimidazole-2-carboxylic acid is sourced from PubChem (CID 83901767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).