2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid

C12H12N4O3 — CID 116979486

IUPAC2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(c2ccc3nc[nH]c3c2)NC1=O
InChIInChI=1S/C12H12N4O3/c17-11(18)5-16-4-10(15-12(16)19)7-1-2-8-9(3-7)14-6-13-8/h1-3,6,10H,4-5H2,(H,13,14)(H,15,19)(H,17,18)
InChIKeyBJCXNTRTEAIEDE-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.71
Rot. Bonds3

About 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid

2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 116979486) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID116979486
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(c2ccc3nc[nH]c3c2)NC1=O
InChIInChI=1S/C12H12N4O3/c17-11(18)5-16-4-10(15-12(16)19)7-1-2-8-9(3-7)14-6-13-8/h1-3,6,10H,4-5H2,(H,13,14)(H,15,19)(H,17,18)
InChIKeyBJCXNTRTEAIEDE-UHFFFAOYSA-N
XLogP0.71
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid (CID 116979486) is 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CC(c2ccc3nc[nH]c3c2)NC1=O.
What is the InChIKey of 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is BJCXNTRTEAIEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11(18)5-16-4-10(15-12(16)19)7-1-2-8-9(3-7)14-6-13-8/h1-3,6,10H,4-5H2,(H,13,14)(H,15,19)(H,17,18).
What are the key properties of 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid?
2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 116979486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).