2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid

C13H16N4O2 — CID 83972310

IUPAC2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C13H16N4O2/c18-13(19)8-17-9-15-11-7-10(1-2-12(11)17)16-5-3-14-4-6-16/h1-2,7,9,14H,3-6,8H2,(H,18,19)
InChIKeyQLWKSQHGKSWRKZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.53
Rot. Bonds3

About 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid

2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid (PubChem CID 83972310) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid
PubChem CID83972310
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C13H16N4O2/c18-13(19)8-17-9-15-11-7-10(1-2-12(11)17)16-5-3-14-4-6-16/h1-2,7,9,14H,3-6,8H2,(H,18,19)
InChIKeyQLWKSQHGKSWRKZ-UHFFFAOYSA-N
XLogP0.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
CID 83972284
2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid
CID 83972307
3-(carboxymethyl)benzimidazole-5-carboxylic acid
CID 16763194
2-(6-hydroxybenzimidazol-1-yl)acetic acid
CID 84772237
2-(5-hexoxybenzimidazol-1-yl)acetic acid
CID 135220960
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
CID 175767613
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
1-[2-(methylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 28524828
4-(1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 61402818
2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972340
1-ethyl-5-piperazin-1-ylbenzotriazole
CID 84726445

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid (CID 83972310) is 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid is O=C(O)Cn1cnc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid?
The InChIKey is QLWKSQHGKSWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(19)8-17-9-15-11-7-10(1-2-12(11)17)16-5-3-14-4-6-16/h1-2,7,9,14H,3-6,8H2,(H,18,19).
What are the key properties of 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid?
2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid has a molecular weight of 260.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 83972310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).