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

C22H24N2O2 — CID 46881961

IUPAC2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESCCCCc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
InChIInChI=1S/C22H24N2O2/c1-2-3-6-18-15-23-21(24-18)14-11-16-9-12-17(13-10-16)19-7-4-5-8-20(19)22(25)26/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyLAOYLZSSVAMYMV-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.90
Rot. Bonds8

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

2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (PubChem CID 46881961) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
PubChem CID46881961
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESCCCCc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1
InChIInChI=1S/C22H24N2O2/c1-2-3-6-18-15-23-21(24-18)14-11-16-9-12-17(13-10-16)19-7-4-5-8-20(19)22(25)26/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyLAOYLZSSVAMYMV-UHFFFAOYSA-N
XLogP4.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.90
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-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (CID 46881961) is 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is CCCCc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1.
What is the InChIKey of 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The InChIKey is LAOYLZSSVAMYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-3-6-18-15-23-21(24-18)14-11-16-9-12-17(13-10-16)19-7-4-5-8-20(19)22(25)26/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid has a molecular weight of 348.45 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-butyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46881961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).