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

C25H22N2O2 — CID 46881416

IUPAC2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H22N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15-16H2,(H,26,27)(H,28,29)
InChIKeyANHWCAHXALYTNY-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.15
Rot. Bonds7

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

2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (PubChem CID 46881416) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
PubChem CID46881416
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H22N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15-16H2,(H,26,27)(H,28,29)
InChIKeyANHWCAHXALYTNY-UHFFFAOYSA-N
XLogP5.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.15
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-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (CID 46881416) is 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The InChIKey is ANHWCAHXALYTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15-16H2,(H,26,27)(H,28,29).
What are the key properties of 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid has a molecular weight of 382.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46881416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).