2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid

C19H25BrN4O2 — CID 84745757

IUPAC2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCC(C)N1CCN(C(C(=O)O)c2c(Br)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C19H25BrN4O2/c1-13(2)23-9-11-24(12-10-23)16(19(25)26)15-17(20)21-18(22(15)3)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,25,26)
InChIKeyPGQJSNZSGIGYMB-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.00
Rot. Bonds5

About 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid

2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid (PubChem CID 84745757) has the molecular formula C19H25BrN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
PubChem CID84745757
Molecular FormulaC19H25BrN4O2
Molecular Weight421.34 g/mol
Exact Mass420.12
IUPAC Name2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCC(C)N1CCN(C(C(=O)O)c2c(Br)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C19H25BrN4O2/c1-13(2)23-9-11-24(12-10-23)16(19(25)26)15-17(20)21-18(22(15)3)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,25,26)
InChIKeyPGQJSNZSGIGYMB-UHFFFAOYSA-N
XLogP3.00
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 84745452
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745344
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 84744613
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84745697
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745657
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid
CID 84745758
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745544
2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742959

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid (CID 84745757) is 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid is CC(C)N1CCN(C(C(=O)O)c2c(Br)nc(-c3ccccc3)n2C)CC1.
What is the InChIKey of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is PGQJSNZSGIGYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2/c1-13(2)23-9-11-24(12-10-23)16(19(25)26)15-17(20)21-18(22(15)3)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,25,26).
What are the key properties of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 421.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84745757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).