2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid

C10H10N2O2 — CID 22227306

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1=NCCN1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyHHCYLDWTHIPYMV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.73
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid

2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid (PubChem CID 22227306) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
PubChem CID22227306
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1=NCCN1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyHHCYLDWTHIPYMV-UHFFFAOYSA-N
XLogP0.73
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid (CID 22227306) is 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid is O=C(O)c1ccccc1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid?
The InChIKey is HHCYLDWTHIPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid?
2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid has a molecular weight of 190.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 22227306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).