2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid

C15H20N4O2 — CID 83972284

IUPAC2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
SMILESCCN1CCN(c2ccc3c(c2)ncn3CC(=O)O)CC1
InChIInChI=1S/C15H20N4O2/c1-2-17-5-7-18(8-6-17)12-3-4-14-13(9-12)16-11-19(14)10-15(20)21/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,21)
InChIKeyAEDAXTACDVZOIM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.26
Rot. Bonds4

About 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid

2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid (PubChem CID 83972284) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
PubChem CID83972284
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
SMILESCCN1CCN(c2ccc3c(c2)ncn3CC(=O)O)CC1
InChIInChI=1S/C15H20N4O2/c1-2-17-5-7-18(8-6-17)12-3-4-14-13(9-12)16-11-19(14)10-15(20)21/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,21)
InChIKeyAEDAXTACDVZOIM-UHFFFAOYSA-N
XLogP1.26
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid (CID 83972284) is 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid is CCN1CCN(c2ccc3c(c2)ncn3CC(=O)O)CC1.
What is the InChIKey of 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is AEDAXTACDVZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-17-5-7-18(8-6-17)12-3-4-14-13(9-12)16-11-19(14)10-15(20)21/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,21).
What are the key properties of 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid?
2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 83972284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).