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

C24H26N2O2 — CID 46881604

IUPAC2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(C3CCCCC3)[nH]2)cc1
InChIInChI=1S/C24H26N2O2/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/h4-5,8-11,13-14,16,19H,1-3,6-7,12,15H2,(H,25,26)(H,27,28)
InChIKeyJFVQHPLFAVNTMN-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.61
Rot. Bonds6

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

2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (PubChem CID 46881604) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
PubChem CID46881604
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CCc2ncc(C3CCCCC3)[nH]2)cc1
InChIInChI=1S/C24H26N2O2/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/h4-5,8-11,13-14,16,19H,1-3,6-7,12,15H2,(H,25,26)(H,27,28)
InChIKeyJFVQHPLFAVNTMN-UHFFFAOYSA-N
XLogP5.61
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.61
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-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid (CID 46881604) is 2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[2-(5-cyclohexyl-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-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
The InChIKey is JFVQHPLFAVNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/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/h4-5,8-11,13-14,16,19H,1-3,6-7,12,15H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid?
2-[4-[2-(5-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.61, 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-cyclohexyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 46881604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).