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

C19H25BrN4O2 — CID 84745758

IUPAC2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid
SMILESCC(C)(C)N1CCN(C(C(=O)O)c2[nH]c(-c3ccccc3)nc2Br)CC1
InChIInChI=1S/C19H25BrN4O2/c1-19(2,3)24-11-9-23(10-12-24)15(18(25)26)14-16(20)22-17(21-14)13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3,(H,21,22)(H,25,26)
InChIKeyMYYQBHLUXWWANR-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.38
Rot. Bonds4

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

2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid (PubChem CID 84745758) has the molecular formula C19H25BrN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid
PubChem CID84745758
Molecular FormulaC19H25BrN4O2
Molecular Weight421.34 g/mol
Exact Mass420.12
IUPAC Name2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid
SMILESCC(C)(C)N1CCN(C(C(=O)O)c2[nH]c(-c3ccccc3)nc2Br)CC1
InChIInChI=1S/C19H25BrN4O2/c1-19(2,3)24-11-9-23(10-12-24)15(18(25)26)14-16(20)22-17(21-14)13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3,(H,21,22)(H,25,26)
InChIKeyMYYQBHLUXWWANR-UHFFFAOYSA-N
XLogP3.38
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84745767
2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
CID 84745652
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745698
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84745591
2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid
CID 84743903
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid
CID 84745614
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745757
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745063
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 72882017
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
CID 72843643

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid (CID 84745758) is 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid is CC(C)(C)N1CCN(C(C(=O)O)c2[nH]c(-c3ccccc3)nc2Br)CC1.
What is the InChIKey of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid?
The InChIKey is MYYQBHLUXWWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2/c1-19(2,3)24-11-9-23(10-12-24)15(18(25)26)14-16(20)22-17(21-14)13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3,(H,21,22)(H,25,26).
What are the key properties of 2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid?
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid has a molecular weight of 421.34 g/mol, XLogP of 3.38, 4 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-tert-butylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84745758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).