6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid

C22H24N2O3 — CID 10292238

IUPAC6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid
SMILESC=CCn1c(-c2ccccc2)nc2cc(OCCCCCC(=O)O)ccc21
InChIInChI=1S/C22H24N2O3/c1-2-14-24-20-13-12-18(27-15-8-4-7-11-21(25)26)16-19(20)23-22(24)17-9-5-3-6-10-17/h2-3,5-6,9-10,12-13,16H,1,4,7-8,11,14-15H2,(H,25,26)
InChIKeyGCXHVNSUUBXTCP-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.91
Rot. Bonds10

About 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid

6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid (PubChem CID 10292238) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid.

Molecular Properties

Compound Name6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid
PubChem CID10292238
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid
SMILESC=CCn1c(-c2ccccc2)nc2cc(OCCCCCC(=O)O)ccc21
InChIInChI=1S/C22H24N2O3/c1-2-14-24-20-13-12-18(27-15-8-4-7-11-21(25)26)16-19(20)23-22(24)17-9-5-3-6-10-17/h2-3,5-6,9-10,12-13,16H,1,4,7-8,11,14-15H2,(H,25,26)
InChIKeyGCXHVNSUUBXTCP-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid?
The IUPAC name of 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid (CID 10292238) is 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid.
What is the SMILES notation for 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid?
The canonical SMILES for 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid is C=CCn1c(-c2ccccc2)nc2cc(OCCCCCC(=O)O)ccc21.
What is the InChIKey of 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid?
The InChIKey is GCXHVNSUUBXTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-14-24-20-13-12-18(27-15-8-4-7-11-21(25)26)16-19(20)23-22(24)17-9-5-3-6-10-17/h2-3,5-6,9-10,12-13,16H,1,4,7-8,11,14-15H2,(H,25,26).
What are the key properties of 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid?
6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenyl-1-prop-2-enylbenzimidazol-5-yl)oxyhexanoic acid is sourced from PubChem (CID 10292238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).