2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid

C9H7BrN2O2S — CID 116878592

IUPAC2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(Br)s2)[nH]1
InChIInChI=1S/C9H7BrN2O2S/c10-7-2-1-6(15-7)5-4-11-8(12-5)3-9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyRZMQKLQLFJQSAH-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.53
Rot. Bonds3

About 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid

2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid (PubChem CID 116878592) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid
PubChem CID116878592
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(Br)s2)[nH]1
InChIInChI=1S/C9H7BrN2O2S/c10-7-2-1-6(15-7)5-4-11-8(12-5)3-9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyRZMQKLQLFJQSAH-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid (CID 116878592) is 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid is O=C(O)Cc1ncc(-c2ccc(Br)s2)[nH]1.
What is the InChIKey of 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is RZMQKLQLFJQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c10-7-2-1-6(15-7)5-4-11-8(12-5)3-9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid?
2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 287.14 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 116878592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).