2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid

C20H25BrN4O2 — CID 84745767

IUPAC2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
SMILESO=C(O)C(c1[nH]c(-c2ccccc2)nc1Br)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H25BrN4O2/c21-18-16(22-19(23-18)14-6-2-1-3-7-14)17(20(26)27)25-12-10-24(11-13-25)15-8-4-5-9-15/h1-3,6-7,15,17H,4-5,8-13H2,(H,22,23)(H,26,27)
InChIKeyAFLIILMYKXJQLP-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid

2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid (PubChem CID 84745767) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
PubChem CID84745767
Molecular FormulaC20H25BrN4O2
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
SMILESO=C(O)C(c1[nH]c(-c2ccccc2)nc1Br)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H25BrN4O2/c21-18-16(22-19(23-18)14-6-2-1-3-7-14)17(20(26)27)25-12-10-24(11-13-25)15-8-4-5-9-15/h1-3,6-7,15,17H,4-5,8-13H2,(H,22,23)(H,26,27)
InChIKeyAFLIILMYKXJQLP-UHFFFAOYSA-N
XLogP3.53
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid
CID 84745614
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid
CID 84745758
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
2-(4-chloro-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84744410
2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 72934020
2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
CID 84745091
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 84743807
(2S)-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 97201917
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
(2R)-2-(4-cyclohexylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97187483
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid (CID 84745767) is 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid is O=C(O)C(c1[nH]c(-c2ccccc2)nc1Br)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid?
The InChIKey is AFLIILMYKXJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2/c21-18-16(22-19(23-18)14-6-2-1-3-7-14)17(20(26)27)25-12-10-24(11-13-25)15-8-4-5-9-15/h1-3,6-7,15,17H,4-5,8-13H2,(H,22,23)(H,26,27).
What are the key properties of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid?
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid has a molecular weight of 433.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84745767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).