methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate

C23H20N2O3 — CID 10270610

IUPACmethyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C23H20N2O3/c1-16(23(26)27-2)28-19-13-14-20-21(15-19)25(18-11-7-4-8-12-18)22(24-20)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKeyJWNMDHIDOVRTCA-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.63
Rot. Bonds5

About methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate

methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate (PubChem CID 10270610) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
PubChem CID10270610
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namemethyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C23H20N2O3/c1-16(23(26)27-2)28-19-13-14-20-21(15-19)25(18-11-7-4-8-12-18)22(24-20)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKeyJWNMDHIDOVRTCA-UHFFFAOYSA-N
XLogP4.63
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
CID 67365280
methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 160779180
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
CID 19354019
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
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
2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
CID 142668346

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate?
The IUPAC name of methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate (CID 10270610) is methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate?
The canonical SMILES for methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate is COC(=O)C(C)Oc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1.
What is the InChIKey of methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate?
The InChIKey is JWNMDHIDOVRTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16(23(26)27-2)28-19-13-14-20-21(15-19)25(18-11-7-4-8-12-18)22(24-20)17-9-5-3-6-10-17/h3-16H,1-2H3.
What are the key properties of methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate?
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate has a molecular weight of 372.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate is sourced from PubChem (CID 10270610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).