3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid

C14H16N2O2 — CID 84704499

IUPAC3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nccn1Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-11(14(17)18)9-13-15-7-8-16(13)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyUUYVVESGZRUTSV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.19
Rot. Bonds5

About 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid

3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid (PubChem CID 84704499) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
PubChem CID84704499
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nccn1Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-11(14(17)18)9-13-15-7-8-16(13)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyUUYVVESGZRUTSV-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-benzylimidazol-2-yl)-1-phosphonoethyl]phosphonic acid
CID 23043549
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol
CID 96540629
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117362627
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid (CID 84704499) is 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid is CC(Cc1nccn1Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid?
The InChIKey is UUYVVESGZRUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(14(17)18)9-13-15-7-8-16(13)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid?
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84704499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).