2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid

C22H30N4O2 — CID 84745686

IUPAC2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
SMILESCc1nc(-c2ccccc2)n(C)c1C(C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H30N4O2/c1-16-19(24(2)21(23-16)17-8-4-3-5-9-17)20(22(27)28)26-14-12-25(13-15-26)18-10-6-7-11-18/h3-5,8-9,18,20H,6-7,10-15H2,1-2H3,(H,27,28)
InChIKeyIXUZQUXRWLBFNN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid

2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid (PubChem CID 84745686) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
PubChem CID84745686
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
SMILESCc1nc(-c2ccccc2)n(C)c1C(C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H30N4O2/c1-16-19(24(2)21(23-16)17-8-4-3-5-9-17)20(22(27)28)26-14-12-25(13-15-26)18-10-6-7-11-18/h3-5,8-9,18,20H,6-7,10-15H2,1-2H3,(H,27,28)
InChIKeyIXUZQUXRWLBFNN-UHFFFAOYSA-N
XLogP3.08
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(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
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84745767
2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethanamine
CID 84745611
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
(2R)-2-(4-cyclohexylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97187483
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 84743807
2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 72934020
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743590
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid (CID 84745686) is 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid is Cc1nc(-c2ccccc2)n(C)c1C(C(=O)O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid?
The InChIKey is IXUZQUXRWLBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-19(24(2)21(23-16)17-8-4-3-5-9-17)20(22(27)28)26-14-12-25(13-15-26)18-10-6-7-11-18/h3-5,8-9,18,20H,6-7,10-15H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid?
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid has a molecular weight of 382.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid is sourced from PubChem (CID 84745686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).