5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid

C24H22N2O3 — CID 15296805

IUPAC5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
SMILESO=C(O)CCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C24H22N2O3/c27-23(28)13-7-8-16-29-20-14-15-21-22(17-20)26(19-11-5-2-6-12-19)24(25-21)18-9-3-1-4-10-18/h1-6,9-12,14-15,17H,7-8,13,16H2,(H,27,28)
InChIKeySONSQWMFWCVYMP-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.33
Rot. Bonds8

About 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid

5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid (PubChem CID 15296805) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid.

Molecular Properties

Compound Name5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
PubChem CID15296805
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
SMILESO=C(O)CCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C24H22N2O3/c27-23(28)13-7-8-16-29-20-14-15-21-22(17-20)26(19-11-5-2-6-12-19)24(25-21)18-9-3-1-4-10-18/h1-6,9-12,14-15,17H,7-8,13,16H2,(H,27,28)
InChIKeySONSQWMFWCVYMP-UHFFFAOYSA-N
XLogP5.33
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
methyl 6-[3-(3-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10296194
methyl 6-[2-phenyl-3-(3-phenylmethoxyphenyl)benzimidazol-5-yl]oxyhexanoate
CID 67365250
methyl 6-[3-(3-cyanophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10138097
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
6-[2-phenyl-3-(3-phenylprop-2-enyl)benzimidazol-5-yl]oxyhexanoic acid
CID 158737659
N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide
CID 10184418
propan-2-yl 6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 10142261
6-[2-(benzenesulfonyl)-3-(4-methylphenyl)benzimidazol-5-yl]oxyhexanoic acid
CID 22397874

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid?
The IUPAC name of 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid (CID 15296805) is 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid.
What is the SMILES notation for 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid?
The canonical SMILES for 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid is O=C(O)CCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1.
What is the InChIKey of 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid?
The InChIKey is SONSQWMFWCVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(28)13-7-8-16-29-20-14-15-21-22(17-20)26(19-11-5-2-6-12-19)24(25-21)18-9-3-1-4-10-18/h1-6,9-12,14-15,17H,7-8,13,16H2,(H,27,28).
What are the key properties of 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid?
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid has a molecular weight of 386.45 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid is sourced from PubChem (CID 15296805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).