3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid

C18H16N2O2 — CID 3043182

IUPAC3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16N2O2/c21-16(22)12-11-15-19-17(13-7-3-1-4-8-13)18(20-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H,21,22)
InChIKeyJYMCCVMGJODMDO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.76
Rot. Bonds5

About 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid

3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid (PubChem CID 3043182) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid
PubChem CID3043182
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16N2O2/c21-16(22)12-11-15-19-17(13-7-3-1-4-8-13)18(20-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H,21,22)
InChIKeyJYMCCVMGJODMDO-UHFFFAOYSA-N
XLogP3.76
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid?
The IUPAC name of 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid (CID 3043182) is 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid is O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid?
The InChIKey is JYMCCVMGJODMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-16(22)12-11-15-19-17(13-7-3-1-4-8-13)18(20-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H,21,22).
What are the key properties of 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid?
3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid is sourced from PubChem (CID 3043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).