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

C23H24N2O2 — CID 46881561

IUPAC2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(CC3CCC3)[nH]2)cc1
InChIInChI=1S/C23H24N2O2/c26-23(27)21-7-2-1-6-20(21)18-11-8-16(9-12-18)10-13-22-24-15-19(25-22)14-17-4-3-5-17/h1-2,6-9,11-12,15,17H,3-5,10,13-14H2,(H,24,25)(H,26,27)
InChIKeyWQAANMZRUFVVIE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.90
Rot. Bonds7

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

2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid (PubChem CID 46881561) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
PubChem CID46881561
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(CC3CCC3)[nH]2)cc1
InChIInChI=1S/C23H24N2O2/c26-23(27)21-7-2-1-6-20(21)18-11-8-16(9-12-18)10-13-22-24-15-19(25-22)14-17-4-3-5-17/h1-2,6-9,11-12,15,17H,3-5,10,13-14H2,(H,24,25)(H,26,27)
InChIKeyWQAANMZRUFVVIE-UHFFFAOYSA-N
XLogP4.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
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-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid (CID 46881561) is 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CCc2ncc(CC3CCC3)[nH]2)cc1.
What is the InChIKey of 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
The InChIKey is WQAANMZRUFVVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(27)21-7-2-1-6-20(21)18-11-8-16(9-12-18)10-13-22-24-15-19(25-22)14-17-4-3-5-17/h1-2,6-9,11-12,15,17H,3-5,10,13-14H2,(H,24,25)(H,26,27).
What are the key properties of 2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid?
2-[4-[2-[5-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid has a molecular weight of 360.46 g/mol, XLogP of 4.90, 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-(cyclobutylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46881561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).