2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride

C11H10BrClN2O2 — CID 170916758

IUPAC2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C11H9BrN2O2.ClH/c12-8-3-1-7(2-4-8)9-6-13-10(14-9)5-11(15)16;/h1-4,6H,5H2,(H,13,14)(H,15,16);1H
InChIKeyMKNQZVDETSNSGN-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride (PubChem CID 170916758) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride
PubChem CID170916758
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C11H9BrN2O2.ClH/c12-8-3-1-7(2-4-8)9-6-13-10(14-9)5-11(15)16;/h1-4,6H,5H2,(H,13,14)(H,15,16);1H
InChIKeyMKNQZVDETSNSGN-UHFFFAOYSA-N
XLogP2.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride (CID 170916758) is 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride is Cl.O=C(O)Cc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride?
The InChIKey is MKNQZVDETSNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2.ClH/c12-8-3-1-7(2-4-8)9-6-13-10(14-9)5-11(15)16;/h1-4,6H,5H2,(H,13,14)(H,15,16);1H.
What are the key properties of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride?
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride has a molecular weight of 317.57 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 170916758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).