2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid

C13H22N4O2 — CID 84742953

IUPAC2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N4O2/c1-9(2)16-4-6-17(7-5-16)12(13(18)19)11-10(3)14-8-15-11/h8-9,12H,4-7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyGGTVVXBHAFUBOW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.87
Rot. Bonds4

About 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid

2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid (PubChem CID 84742953) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
PubChem CID84742953
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N4O2/c1-9(2)16-4-6-17(7-5-16)12(13(18)19)11-10(3)14-8-15-11/h8-9,12H,4-7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyGGTVVXBHAFUBOW-UHFFFAOYSA-N
XLogP0.87
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 84743807
2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742959
2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 82372771
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745344
2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 84742102
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid
CID 84743903
2-(4-bromo-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84743696
2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84741549
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745757
1,3-bis(2-chloro-3-pyridinyl)-1,3-bis(4-propan-2-ylpiperazin-1-yl)propan-2-one
CID 174506401

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid (CID 84742953) is 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid is Cc1[nH]cnc1C(C(=O)O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is GGTVVXBHAFUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)16-4-6-17(7-5-16)12(13(18)19)11-10(3)14-8-15-11/h8-9,12H,4-7H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 266.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84742953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).