2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid

C24H28N2O4 — CID 139614630

IUPAC2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
SMILESCc1ccc(-n2c(-c3cccc(O)c3)cnc2CCCCCCOCC(=O)O)cc1
InChIInChI=1S/C24H28N2O4/c1-18-10-12-20(13-11-18)26-22(19-7-6-8-21(27)15-19)16-25-23(26)9-4-2-3-5-14-30-17-24(28)29/h6-8,10-13,15-16,27H,2-5,9,14,17H2,1H3,(H,28,29)
InChIKeyJTEHYDHKVXZSNL-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.76
Rot. Bonds11

About 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid

2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid (PubChem CID 139614630) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid.

Molecular Properties

Compound Name2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
PubChem CID139614630
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
SMILESCc1ccc(-n2c(-c3cccc(O)c3)cnc2CCCCCCOCC(=O)O)cc1
InChIInChI=1S/C24H28N2O4/c1-18-10-12-20(13-11-18)26-22(19-7-6-8-21(27)15-19)16-25-23(26)9-4-2-3-5-14-30-17-24(28)29/h6-8,10-13,15-16,27H,2-5,9,14,17H2,1H3,(H,28,29)
InChIKeyJTEHYDHKVXZSNL-UHFFFAOYSA-N
XLogP4.76
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid?
The IUPAC name of 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid (CID 139614630) is 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid.
What is the SMILES notation for 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid?
The canonical SMILES for 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid is Cc1ccc(-n2c(-c3cccc(O)c3)cnc2CCCCCCOCC(=O)O)cc1.
What is the InChIKey of 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid?
The InChIKey is JTEHYDHKVXZSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-18-10-12-20(13-11-18)26-22(19-7-6-8-21(27)15-19)16-25-23(26)9-4-2-3-5-14-30-17-24(28)29/h6-8,10-13,15-16,27H,2-5,9,14,17H2,1H3,(H,28,29).
What are the key properties of 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid?
2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid has a molecular weight of 408.50 g/mol, XLogP of 4.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid is sourced from PubChem (CID 139614630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).