2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid

C23H22N2O3S — CID 142668346

IUPAC2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
SMILESCCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1)C(=O)O
InChIInChI=1S/C23H22N2O3S/c1-2-3-9-21(23(26)27)28-18-10-11-19-20(14-18)25(17-7-5-4-6-8-17)22(24-19)16-12-13-29-15-16/h4-8,10-15,21H,2-3,9H2,1H3,(H,26,27)
InChIKeySSBGZBBMUKSWJX-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.78
Rot. Bonds8

About 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid

2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid (PubChem CID 142668346) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid.

Molecular Properties

Compound Name2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
PubChem CID142668346
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
SMILESCCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1)C(=O)O
InChIInChI=1S/C23H22N2O3S/c1-2-3-9-21(23(26)27)28-18-10-11-19-20(14-18)25(17-7-5-4-6-8-17)22(24-19)16-12-13-29-15-16/h4-8,10-15,21H,2-3,9H2,1H3,(H,26,27)
InChIKeySSBGZBBMUKSWJX-UHFFFAOYSA-N
XLogP5.78
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid
CID 142668347
methyl 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoate
CID 172762449
propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 160779180
2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
CID 67365280
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
CID 57424026
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610
(2R)-2-phenoxyhexanoic acid
CID 71401043
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
The IUPAC name of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid (CID 142668346) is 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid.
What is the SMILES notation for 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
The canonical SMILES for 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid is CCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1)C(=O)O.
What is the InChIKey of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
The InChIKey is SSBGZBBMUKSWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-2-3-9-21(23(26)27)28-18-10-11-19-20(14-18)25(17-7-5-4-6-8-17)22(24-19)16-12-13-29-15-16/h4-8,10-15,21H,2-3,9H2,1H3,(H,26,27).
What are the key properties of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid has a molecular weight of 406.51 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid is sourced from PubChem (CID 142668346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).