ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate

C25H24N2O3 — CID 15296815

IUPACethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
SMILESCCOC(=O)CCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H24N2O3/c1-2-29-24(28)14-9-17-30-21-15-16-22-23(18-21)27(20-12-7-4-8-13-20)25(26-22)19-10-5-3-6-11-19/h3-8,10-13,15-16,18H,2,9,14,17H2,1H3
InChIKeyJCCIXIBHAPLZRY-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.41
Rot. Bonds8

About ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate

ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate (PubChem CID 15296815) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
PubChem CID15296815
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Nameethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
SMILESCCOC(=O)CCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H24N2O3/c1-2-29-24(28)14-9-17-30-21-15-16-22-23(18-21)27(20-12-7-4-8-13-20)25(26-22)19-10-5-3-6-11-19/h3-8,10-13,15-16,18H,2,9,14,17H2,1H3
InChIKeyJCCIXIBHAPLZRY-UHFFFAOYSA-N
XLogP5.41
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
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
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561
propan-2-yl 6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 10142261
methyl 6-[3-(9H-fluoren-2-yl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67365288
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate?
The IUPAC name of ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate (CID 15296815) is ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate.
What is the SMILES notation for ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate?
The canonical SMILES for ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate is CCOC(=O)CCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1.
What is the InChIKey of ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate?
The InChIKey is JCCIXIBHAPLZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-29-24(28)14-9-17-30-21-15-16-22-23(18-21)27(20-12-7-4-8-13-20)25(26-22)19-10-5-3-6-11-19/h3-8,10-13,15-16,18H,2,9,14,17H2,1H3.
What are the key properties of ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate?
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate has a molecular weight of 400.48 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate is sourced from PubChem (CID 15296815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).