2-imidazol-1-yl-2-phenylpentanoic acid

C14H16N2O2 — CID 114994268

IUPAC2-imidazol-1-yl-2-phenylpentanoic acid
SMILESCCCC(C(=O)O)(c1ccccc1)n1ccnc1
InChIInChI=1S/C14H16N2O2/c1-2-8-14(13(17)18,16-10-9-15-11-16)12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,17,18)
InChIKeyIWBRIPRRADFMKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds5

About 2-imidazol-1-yl-2-phenylpentanoic acid

2-imidazol-1-yl-2-phenylpentanoic acid (PubChem CID 114994268) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-imidazol-1-yl-2-phenylpentanoic acid
PubChem CID114994268
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-imidazol-1-yl-2-phenylpentanoic acid
SMILESCCCC(C(=O)O)(c1ccccc1)n1ccnc1
InChIInChI=1S/C14H16N2O2/c1-2-8-14(13(17)18,16-10-9-15-11-16)12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,17,18)
InChIKeyIWBRIPRRADFMKK-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;1-tritylimidazole
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2-(2-methylimidazol-1-yl)-2-phenylbutanoic acid
CID 114994251
2-[ethyl(methyl)amino]-2-phenylpentanoic acid
CID 114992182
2-imidazol-1-yltridecan-2-ol
CID 87316839
benzoic acid;1-propylimidazole
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2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
CID 114990903
[imidazol-1-yl(diphenyl)methyl]-methyl-prop-2-enylsilane
CID 173368026
1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate;hydrate
CID 19806282
2-imidazol-1-yl-2-octyldecanamide
CID 175292501
CID 158188300
CID 158188300

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-2-phenylpentanoic acid?
The IUPAC name of 2-imidazol-1-yl-2-phenylpentanoic acid (CID 114994268) is 2-imidazol-1-yl-2-phenylpentanoic acid.
What is the SMILES notation for 2-imidazol-1-yl-2-phenylpentanoic acid?
The canonical SMILES for 2-imidazol-1-yl-2-phenylpentanoic acid is CCCC(C(=O)O)(c1ccccc1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-2-phenylpentanoic acid?
The InChIKey is IWBRIPRRADFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-8-14(13(17)18,16-10-9-15-11-16)12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,17,18).
What are the key properties of 2-imidazol-1-yl-2-phenylpentanoic acid?
2-imidazol-1-yl-2-phenylpentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-2-phenylpentanoic acid is sourced from PubChem (CID 114994268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).