2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

C24H20N2O2 — CID 46882061

IUPAC2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28)
InChIKeyMPOMHLWNVYEWLR-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.23
Rot. Bonds6

About 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid

2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (PubChem CID 46882061) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
PubChem CID46882061
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28)
InChIKeyMPOMHLWNVYEWLR-UHFFFAOYSA-N
XLogP5.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (CID 46882061) is 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The InChIKey is MPOMHLWNVYEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid has a molecular weight of 368.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46882061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).