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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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).