2-(1-benzylimidazol-2-yl)acetic acid

C12H12N2O2 — CID 23043555

IUPAC2-(1-benzylimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-12(16)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16)
InChIKeyPEXJLERUJWJFKU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-benzylimidazol-2-yl)acetic acid

2-(1-benzylimidazol-2-yl)acetic acid (PubChem CID 23043555) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)acetic acid
PubChem CID23043555
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(1-benzylimidazol-2-yl)acetic acid
SMILESO=C(O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-12(16)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16)
InChIKeyPEXJLERUJWJFKU-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylimidazole
CID 77918
Ozagrel
CID 5282440
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
1-benzylimidazole-2-carboxylic Acid
CID 1236690
Ozagrel hydrochloride
CID 6438130
1-Benzyl-3-methylimidazolium Chloride
CID 10560335
Efetozole
CID 208911
5-Methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
CID 84015978
Ozagrel Sodium
CID 23663942
1-benzyl-1H-imidazole-2-carbaldehyde
CID 139082
(1-benzyl-1H-imidazol-2-yl)methanol
CID 311778
1H-Imidazole-1-propanenitrile, 2-phenyl-
CID 90325

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-benzylimidazol-2-yl)acetic acid (CID 23043555) is 2-(1-benzylimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)acetic acid is O=C(O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)acetic acid?
The InChIKey is PEXJLERUJWJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16).
What are the key properties of 2-(1-benzylimidazol-2-yl)acetic acid?
2-(1-benzylimidazol-2-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)acetic acid is sourced from PubChem (CID 23043555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).