2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid

C10H14BrN3O2 — CID 84743696

IUPAC2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1[nH]cnc1Br)N1CCCCC1
InChIInChI=1S/C10H14BrN3O2/c11-9-7(12-6-13-9)8(10(15)16)14-4-2-1-3-5-14/h6,8H,1-5H2,(H,12,13)(H,15,16)
InChIKeyKMMRTTIRQROJRH-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.78
Rot. Bonds3

About 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid

2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid (PubChem CID 84743696) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
PubChem CID84743696
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1[nH]cnc1Br)N1CCCCC1
InChIInChI=1S/C10H14BrN3O2/c11-9-7(12-6-13-9)8(10(15)16)14-4-2-1-3-5-14/h6,8H,1-5H2,(H,12,13)(H,15,16)
InChIKeyKMMRTTIRQROJRH-UHFFFAOYSA-N
XLogP1.78
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84741549
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
2-(1H-imidazol-2-yl)-2-piperidin-1-ylacetic acid
CID 90259225
2-(4-chloro-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84744410
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42580822
2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742953
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085
2-(azepan-1-yl)-2-(3-bromo-4-fluorophenyl)acetic acid
CID 54914626
2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid
CID 102843185

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid (CID 84743696) is 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid is O=C(O)C(c1[nH]cnc1Br)N1CCCCC1.
What is the InChIKey of 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is KMMRTTIRQROJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-9-7(12-6-13-9)8(10(15)16)14-4-2-1-3-5-14/h6,8H,1-5H2,(H,12,13)(H,15,16).
What are the key properties of 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid?
2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 288.14 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 84743696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).