2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid

C14H14N2O3 — CID 58011929

IUPAC2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2)n(C2CC2)c1=O
InChIInChI=1S/C14H14N2O3/c17-13(18)9-15-8-12(10-4-2-1-3-5-10)16(14(15)19)11-6-7-11/h1-5,8,11H,6-7,9H2,(H,17,18)
InChIKeyZLIIVOCPIPSPNQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid

2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid (PubChem CID 58011929) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid
PubChem CID58011929
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2)n(C2CC2)c1=O
InChIInChI=1S/C14H14N2O3/c17-13(18)9-15-8-12(10-4-2-1-3-5-10)16(14(15)19)11-6-7-11/h1-5,8,11H,6-7,9H2,(H,17,18)
InChIKeyZLIIVOCPIPSPNQ-UHFFFAOYSA-N
XLogP1.74
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid (CID 58011929) is 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid is O=C(O)Cn1cc(-c2ccccc2)n(C2CC2)c1=O.
What is the InChIKey of 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid?
The InChIKey is ZLIIVOCPIPSPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(18)9-15-8-12(10-4-2-1-3-5-10)16(14(15)19)11-6-7-11/h1-5,8,11H,6-7,9H2,(H,17,18).
What are the key properties of 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid?
2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid is sourced from PubChem (CID 58011929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).