2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid

C22H24N4O2 — CID 84745657

IUPAC2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
SMILESCn1cc(C(C(=O)O)N2CCN(c3ccccc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-24-16-19(23-21(24)17-8-4-2-5-9-17)20(22(27)28)26-14-12-25(13-15-26)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,27,28)
InChIKeyIYCYICNZOILHKT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.04
Rot. Bonds5

About 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid

2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid (PubChem CID 84745657) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
PubChem CID84745657
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
SMILESCn1cc(C(C(=O)O)N2CCN(c3ccccc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-24-16-19(23-21(24)17-8-4-2-5-9-17)20(22(27)28)26-14-12-25(13-15-26)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,27,28)
InChIKeyIYCYICNZOILHKT-UHFFFAOYSA-N
XLogP3.04
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745063
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 84745452
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745757
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2S)-2-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 97200415
(2S)-2-(4-pyridin-4-ylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97191653
(2S)-2-[1-(carboxymethyl)indol-3-yl]-2-(4-phenylpiperazin-1-yl)acetic acid
CID 51721039
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
CID 69324155

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid (CID 84745657) is 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid is Cn1cc(C(C(=O)O)N2CCN(c3ccccc3)CC2)nc1-c1ccccc1.
What is the InChIKey of 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid?
The InChIKey is IYCYICNZOILHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-24-16-19(23-21(24)17-8-4-2-5-9-17)20(22(27)28)26-14-12-25(13-15-26)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,27,28).
What are the key properties of 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid?
2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid has a molecular weight of 376.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84745657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).