2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid

C10H14N2O2 — CID 91571309

IUPAC2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid
SMILESCC(C(=O)O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C10H14N2O2/c1-6(10(13)14)7-2-3-8-9(4-7)12-5-11-8/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyOTLYUMMCFOMAOS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.24
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid

2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid (PubChem CID 91571309) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid
PubChem CID91571309
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid
SMILESCC(C(=O)O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C10H14N2O2/c1-6(10(13)14)7-2-3-8-9(4-7)12-5-11-8/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyOTLYUMMCFOMAOS-UHFFFAOYSA-N
XLogP1.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid (CID 91571309) is 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid is CC(C(=O)O)C1CCc2nc[nH]c2C1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid?
The InChIKey is OTLYUMMCFOMAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(10(13)14)7-2-3-8-9(4-7)12-5-11-8/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid?
2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 91571309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).