2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid

C24H22N2O3 — CID 67365280

IUPAC2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
SMILESCC(C)C(Oc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1)C(=O)O
InChIInChI=1S/C24H22N2O3/c1-16(2)22(24(27)28)29-19-13-14-20-21(15-19)26(18-11-7-4-8-12-18)23(25-20)17-9-5-3-6-10-17/h3-16,22H,1-2H3,(H,27,28)
InChIKeySCPSSUWOEPPTRL-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.18
Rot. Bonds6

About 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid

2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid (PubChem CID 67365280) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
PubChem CID67365280
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
SMILESCC(C)C(Oc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1)C(=O)O
InChIInChI=1S/C24H22N2O3/c1-16(2)22(24(27)28)29-19-13-14-20-21(15-19)26(18-11-7-4-8-12-18)23(25-20)17-9-5-3-6-10-17/h3-16,22H,1-2H3,(H,27,28)
InChIKeySCPSSUWOEPPTRL-UHFFFAOYSA-N
XLogP5.18
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 160779180
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
CID 142668346
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
CID 19354019
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
methyl 6-[3-(3-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10296194
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid?
The IUPAC name of 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid (CID 67365280) is 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid.
What is the SMILES notation for 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid?
The canonical SMILES for 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid is CC(C)C(Oc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1)C(=O)O.
What is the InChIKey of 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid?
The InChIKey is SCPSSUWOEPPTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16(2)22(24(27)28)29-19-13-14-20-21(15-19)26(18-11-7-4-8-12-18)23(25-20)17-9-5-3-6-10-17/h3-16,22H,1-2H3,(H,27,28).
What are the key properties of 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid?
2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid has a molecular weight of 386.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid is sourced from PubChem (CID 67365280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).