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

C21H28N4O2 — CID 84745614

IUPAC2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]c(-c2ccccc2)nc1C(C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-18(23-20(22-15)16-7-3-2-4-8-16)19(21(26)27)25-13-11-24(12-14-25)17-9-5-6-10-17/h2-4,7-8,17,19H,5-6,9-14H2,1H3,(H,22,23)(H,26,27)
InChIKeyAJCHPEFWJWJNMN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.07
Rot. Bonds5

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

2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid (PubChem CID 84745614) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid
PubChem CID84745614
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]c(-c2ccccc2)nc1C(C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-18(23-20(22-15)16-7-3-2-4-8-16)19(21(26)27)25-13-11-24(12-14-25)17-9-5-6-10-17/h2-4,7-8,17,19H,5-6,9-14H2,1H3,(H,22,23)(H,26,27)
InChIKeyAJCHPEFWJWJNMN-UHFFFAOYSA-N
XLogP3.07
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.07
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-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
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
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
CID 15067837
2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
CID 84745091
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
2-(4-chloro-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84744410
(2R)-2-(4-cyclohexylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97187483
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-tert-butylpiperazin-1-yl)acetic acid
CID 84745758

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid (CID 84745614) is 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid is Cc1[nH]c(-c2ccccc2)nc1C(C(=O)O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is AJCHPEFWJWJNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-18(23-20(22-15)16-7-3-2-4-8-16)19(21(26)27)25-13-11-24(12-14-25)17-9-5-6-10-17/h2-4,7-8,17,19H,5-6,9-14H2,1H3,(H,22,23)(H,26,27).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid?
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 368.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 84745614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).